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

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C21H20ClFN2O4 MolecularWeight: 418.845903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20ClFN2O4/c22-16-2-1-3-18(12-16)24-19(26)13-29-21(28)15-8-10-25(11-9-15)20(27)14-4-6-17(23)7-5-14/h1-7,12,15H,8-11,13H2,(H,24,26)