ethyl 1-cyclopentyl-4-[2-(3-methylphenyl)ethanoyl-phenyl-amino]piperidine-4-carboxylate

Systemtic Name: ethyl 1-cyclopentyl-4-[2-(3-methylphenyl)ethanoyl-phenyl-amino]piperidine-4-carboxylate Openeye Name: ethyl 1-cyclopentyl-4-(N-[2-(m-tolyl)acetyl]anilino)piperidine-4-carboxylate CAS Name: 1-cyclopentyl-4-(N-[2-(3-methylphenyl)-1-oxoethyl]anilino)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopentyl-4-(N-[2-(3-methylphenyl)acetyl]anilino)piperidine-4-carboxylate Traditional Name: 1-cyclopentyl-4-(N-[2-(m-tolyl)acetyl]anilino)isonipecotic acid ethyl ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O3/c1-3-33-27(32)28(16-18-29(19-17-28)24-12-7-8-13-24)30(25-14-5-4-6-15-25)26(31)21-23-11-9-10-22(2)20-23/h4-6,9-11,14-15,20,24H,3,7-8,12-13,16-19,21H2,1-2H3