[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)O[C@H](C)C(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C22H25N3O3/c1-14-17-9-5-6-10-18(17)24-15(2)19(14)21(27)28-16(3)20(26)25-22(13-23)11-7-4-8-12-22/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3,(H,25,26)/t16-/m1/s1