[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C23H26ClNO3/c1-3-17-8-6-7-16(2)21(17)25-20(26)15-28-22(27)23(13-4-5-14-23)18-9-11-19(24)12-10-18/h6-12H,3-5,13-15H2,1-2H3,(H,25,26)