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

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)O[C@H](C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H25N3O4/c1-16-6-3-4-9-21(16)23(29)27-12-10-19(11-13-27)24(30)31-17(2)22(28)26-20-8-5-7-18(14-20)15-25/h3-9,14,17,19H,10-13H2,1-2H3,(H,26,28)/t17-/m1/s1