[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C23H25FN2O4 MolecularWeight: 412.454003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)F

InChI

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