[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethyl-6-oxidanylidene-1-phenyl-pyridine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethyl-6-oxidanylidene-1-phenyl-pyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2,4-dimethyl-6-oxo-1-phenyl-pyridine-3-carboxylate CAS Name: 2,4-dimethyl-6-oxo-1-phenyl-3-pyridinecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylate Traditional Name: 6-keto-2,4-dimethyl-1-phenyl-nicotinic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1C(=O)OCC(=O)NC2(CCCC2)C#N)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=C1C(=O)OCC(=O)NC2(CCCC2)C#N)C)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-15-12-19(27)25(17-8-4-3-5-9-17)16(2)20(15)21(28)29-13-18(26)24-22(14-23)10-6-7-11-22/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3,(H,24,26)