[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C29H29FN2O4 MolecularWeight: 488.549963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C29H29FN2O4/c1-19-16-20(2)18-25(17-19)31-27(33)26(21-6-4-3-5-7-21)36-29(35)23-12-14-32(15-13-23)28(34)22-8-10-24(30)11-9-22/h3-11,16-18,23,26H,12-15H2,1-2H3,(H,31,33)