chempirical

2-[[5-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-10,11-dihydro-5H-dibenzo[A,D]cyclohepten-2-yl]oxy]acetic acid

C32H27NO5CAS 212783-75-0505.57 g/mol

Open in Covalent MOL file
OHOOHNOO
Carboxylic acidEther

Properties

Molecular formula
C32H27NO5
Molar mass
505.57 g/mol
Exact mass
505.1889 Da
logP
6.08Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Identifiers

CAS number
212783-75-0
SMILES
O=C(O)COc1ccc2c(c1)CCc1ccccc1C2N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
XHOBPBDZGGKEOX-UHFFFAOYSA-N
InChI
InChI=1S/C32H27NO5/c34-30(35)19-37-22-15-16-24-21(17-22)14-13-20-7-1-2-8-23(20)31(24)33-32(36)38-18-29-27-11-5-3-9-25(27)26-10-4-6-12-28(26)29/h1-12,15-17,29,31H,13-14,18-19H2,(H,33,36)(H,34,35)

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Names and synonyms

3 names
  • Acetic acid, 2-[[5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-2-yl]oxy]-
  • Acetic acid, [[5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-2-yl]oxy]-
  • 2-((5-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)oxy)acetic acid

Work with 2-[[5-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-10,11-dihydro-5H-dibenzo[A,D]cyclohepten-2-yl]oxy]acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-[4-[(2,4-Dimethoxyphenyl)[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]phenoxy]acetic acid126828-35-163 % similar 2-[4-[(2,4-Dimethoxyphenyl)[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]phenoxy]acetic acid145069-56-363 % similar (βS)-2-Chloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270596-37-754 % similar (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-452 % similar (βS)-4-(1,1-Dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid219967-69-852 % similar Fmoc-gly-oh29022-11-552 % similar (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenepentanoic acid269398-87-052 % similar (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-iodobenzenebutanoic acid269396-73-851 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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