[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethoxypyridine-3-carboxylate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethoxypyridine-3-carboxylate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)O[C@H](C)C(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C18H23N3O4/c1-3-24-16-14(8-7-11-20-16)17(23)25-13(2)15(22)21-18(12-19)9-5-4-6-10-18/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,21,22)/t13-/m1/s1