[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-13-5-3-4-6-16(13)19(25)23-9-7-15(8-10-23)20(26)27-12-18(24)17(11-21)14(2)22/h3-6,15,17,22H,7-10,12H2,1-2H3/t17-/m0/s1