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

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C22H22ClFN2O5 MolecularWeight: 448.871883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C22H22ClFN2O5/c1-30-19-7-6-17(12-18(19)23)25-20(27)13-31-22(29)15-8-10-26(11-9-15)21(28)14-2-4-16(24)5-3-14/h2-7,12,15H,8-11,13H2,1H3,(H,25,27)