chempirical

Etomoxir

C17H23ClO4CAS 124083-20-1326.82 g/mol

Open in Covalent MOL file
OOOClO
Aryl halideEpoxideEsterEther

Properties

Molecular formula
C17H23ClO4
Molar mass
326.82 g/mol
Exact mass
326.1285 Da
logP
4.00Crippen estimate
Polar surface area
48.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
10
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
124083-20-1
SMILES
CCOC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1
InChIKey
DZLOHEOHWICNIL-QGZVFWFLSA-N
InChI
InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3/t17-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2-Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, ethyl ester, (2R)-
  • Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, ethyl ester, (R)-
  • Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, ethyl ester, (2R)-
  • (R)-(+)-Etomoxir
  • (R)-Ethyl 2-(6-(4-chlorophenoxy)hexyl)oxirane-2-carboxylate

Work with Etomoxir

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-Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, sodium salt (1:1), (2R)-828934-41-462 % similar Clofibrate637-07-051 % similar Chlorobenzilate510-15-646 % similar 1-Chloro-4-ethoxybenzene622-61-745 % similar Ethyl 4-chlorobenzoate7335-27-540 % similar p-Chlorophenylacetic acid ethyl ester14062-24-938 % similar 3-(4-Chlorophenoxy)propanoic acid3284-79-538 % similar 4-(Hexyloxy)benzoyl chloride39649-71-338 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia