[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C23H25FN2O4 MolecularWeight: 412.454003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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