[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C26H31FN2O4 MolecularWeight: 454.533743

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H31FN2O4/c1-3-8-23(19-9-5-4-6-10-19)28-24(30)18(2)33-26(32)21-11-7-16-29(17-21)25(31)20-12-14-22(27)15-13-20/h4-6,9-10,12-15,18,21,23H,3,7-8,11,16-17H2,1-2H3,(H,28,30)