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

Systemtic Name: [(2R)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [(1R)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C24H27FN2O4 MolecularWeight: 426.480583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H](C)OC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)F

InChI

InChI=1S/C24H27FN2O4/c1-15-6-4-5-7-20(15)23(29)27-12-10-18(11-13-27)24(30)31-17(3)22(28)26-19-9-8-16(2)21(25)14-19/h4-9,14,17-18H,10-13H2,1-3H3,(H,26,28)/t17-/m1/s1