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

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C23H25FN2O6 MolecularWeight: 444.452803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C23H25FN2O6/c1-30-18-9-10-19(20(12-18)31-2)25-21(27)14-32-23(29)16-4-3-11-26(13-16)22(28)15-5-7-17(24)8-6-15/h5-10,12,16H,3-4,11,13-14H2,1-2H3,(H,25,27)