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C20H25NO4CAS 153259-65-5343.42 g/mol

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ONOOHO
Carboxylic acidEtherNitrile

Properties

Molecular formula
C20H25NO4
Molar mass
343.42 g/mol
Exact mass
343.1784 Da
Melting point
157 °C
logP
4.05Crippen estimate
Polar surface area
79.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5
Stereocentres
s, sin SMILES atom order

Identifiers

CAS number
153259-65-5
SMILES
COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1
InChIKey
CFBUZOUXXHZCFB-OYOVHJISNA-N
InChI
InChI=1/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-

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Names and synonyms

5 names
  • Cyclohexanecarboxylic acid, 4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-, cis-
  • cis-4-Cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexanecarboxylic acid
  • cis-4-[3-(Cyclopentyloxy)-4-methoxyphenyl]-4-cyanocyclohexane-1-carboxylic acid
  • SB 207499
  • Ariflo

Work with Cilomilast

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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook