[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C23H25FN2O4 MolecularWeight: 412.454003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN2O4/c1-15-3-4-16(2)20(13-15)25-21(27)14-30-23(29)18-9-11-26(12-10-18)22(28)17-5-7-19(24)8-6-17/h3-8,13,18H,9-12,14H2,1-2H3,(H,25,27)