[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C28H27FN2O4 MolecularWeight: 474.523383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H27FN2O4/c1-19-9-15-24(16-10-19)30-26(32)25(20-6-3-2-4-7-20)35-28(34)22-8-5-17-31(18-22)27(33)21-11-13-23(29)14-12-21/h2-4,6-7,9-16,22,25H,5,8,17-18H2,1H3,(H,30,32)