[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-oxo-2-(4-sec-butylanilino)ethyl] 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid [2-(4-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid [2-keto-2-(4-sec-butylanilino)ethyl] ester Formula: C24H28ClNO3 MolecularWeight: 413.93702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H28ClNO3/c1-3-17(2)18-6-12-21(13-7-18)26-22(27)16-29-23(28)24(14-4-5-15-24)19-8-10-20(25)11-9-19/h6-13,17H,3-5,14-16H2,1-2H3,(H,26,27)