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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H25FN2O4/c1-15-10-16(2)12-20(11-15)25-21(27)14-30-23(29)18-4-3-9-26(13-18)22(28)17-5-7-19(24)8-6-17/h5-8,10-12,18H,3-4,9,13-14H2,1-2H3,(H,25,27)