[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate CAS Name: 2-methyl-6-phenyl-3-pyridinecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate Traditional Name: 2-methyl-6-phenyl-nicotinic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C21H21N3O3/c1-15-17(9-10-18(23-15)16-7-3-2-4-8-16)20(26)27-13-19(25)24-21(14-22)11-5-6-12-21/h2-4,7-10H,5-6,11-13H2,1H3,(H,24,25)