[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,4-dimethylquinolin-3-yl)ethanoate

Systemtic Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,4-dimethylquinolin-3-yl)ethanoate Openeye Name: [(1S)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-(2,4-dimethyl-3-quinolyl)acetate CAS Name: 2-(2,4-dimethyl-3-quinolinyl)acetic acid [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(2,4-dimethylquinolin-3-yl)acetate Traditional Name: 2-(2,4-dimethyl-3-quinolyl)acetic acid [(1S)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-15-18-9-5-6-10-20(18)25-16(2)19(15)13-21(27)29-17(3)22(28)26-23(14-24)11-7-4-8-12-23/h5-6,9-10,17H,4,7-8,11-13H2,1-3H3,(H,26,28)/t17-/m0/s1