[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H22ClFN2O4 MolecularWeight: 432.872483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22ClFN2O4/c23-18-3-1-2-15(12-18)13-25-20(27)14-30-22(29)17-8-10-26(11-9-17)21(28)16-4-6-19(24)7-5-16/h1-7,12,17H,8-11,13-14H2,(H,25,27)