[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 1-(4-chlorophenyl)cyclobutanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclobutanecarboxylic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclobutanecarboxylic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2(CCC2)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2(CCC2)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H22ClNO5/c1-26-17-10-16(11-18(12-17)27-2)23-19(24)13-28-20(25)21(8-3-9-21)14-4-6-15(22)7-5-14/h4-7,10-12H,3,8-9,13H2,1-2H3,(H,23,24)