[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C16H19N3O3/c1-12-5-6-13(9-18-12)15(21)22-10-14(20)19-16(11-17)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20)