[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 4-(3,4-dimethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethoxyphenyl)-4-keto-butyric acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)CCC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)CCC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H29NO6/c1-14-6-4-5-7-16(14)22-20(24)13-28-21(25)11-9-17(23)15-8-10-18(26-2)19(12-15)27-3/h8,10,12,14,16H,4-7,9,11,13H2,1-3H3,(H,22,24)