[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCC=CC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H]2CCC=CC2)OC

InChI

InChI=1S/C17H21NO5/c1-21-14-9-8-13(10-15(14)22-2)18-16(19)11-23-17(20)12-6-4-3-5-7-12/h3-4,8-10,12H,5-7,11H2,1-2H3,(H,18,19)/t12-/m1/s1