[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC3CC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)O[C@H](C)C(=O)NC3CC3

InChI

InChI=1S/C20H26N2O4/c1-13-5-3-4-6-17(13)19(24)22-11-9-15(10-12-22)20(25)26-14(2)18(23)21-16-7-8-16/h3-6,14-16H,7-12H2,1-2H3,(H,21,23)/t14-/m1/s1