methyl 4-[2-(3-chlorophenyl)ethanoyl-phenyl-amino]-1-cyclopentyl-piperidine-4-carboxylate

Systemtic Name: methyl 4-[2-(3-chlorophenyl)ethanoyl-phenyl-amino]-1-cyclopentyl-piperidine-4-carboxylate Openeye Name: methyl 4-(N-[2-(3-chlorophenyl)acetyl]anilino)-1-cyclopentyl-piperidine-4-carboxylate CAS Name: 4-(N-[2-(3-chlorophenyl)-1-oxoethyl]anilino)-1-cyclopentyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(N-[2-(3-chlorophenyl)acetyl]anilino)-1-cyclopentylpiperidine-4-carboxylate Traditional Name: 4-(N-[2-(3-chlorophenyl)acetyl]anilino)-1-cyclopentyl-isonipecotic acid methyl ester Formula: C26H31ClN2O3 MolecularWeight: 454.98894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C2CCCC2)N(C3=CC=CC=C3)C(=O)CC4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)C1(CCN(CC1)C2CCCC2)N(C3=CC=CC=C3)C(=O)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H31ClN2O3/c1-32-25(31)26(14-16-28(17-15-26)22-10-5-6-11-22)29(23-12-3-2-4-13-23)24(30)19-20-8-7-9-21(27)18-20/h2-4,7-9,12-13,18,22H,5-6,10-11,14-17,19H2,1H3