[(1S,3S,4S)-3,4-dimethylcyclohexyl] 4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [(1S,3S,4S)-3,4-dimethylcyclohexyl] 4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [(1S,3S,4S)-3,4-dimethylcyclohexyl] 4-(4-ethoxyanilino)-4-oxo-butanoate CAS Name: 4-(4-ethoxyanilino)-4-oxobutanoic acid [(1S,3S,4S)-3,4-dimethylcyclohexyl] ester IUPAC Name: [(1S,3S,4S)-3,4-dimethylcyclohexyl] 4-(4-ethoxyanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(p-phenetidino)butyric acid [(1S,3S,4S)-3,4-dimethylcyclohexyl] ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)OC2CCC(C(C2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)O[C@H]2CC[C@@H]([C@H](C2)C)C

InChI

InChI=1S/C20H29NO4/c1-4-24-17-9-6-16(7-10-17)21-19(22)11-12-20(23)25-18-8-5-14(2)15(3)13-18/h6-7,9-10,14-15,18H,4-5,8,11-13H2,1-3H3,(H,21,22)/t14-,15-,18-/m0/s1