[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate CAS Name: 2-(4-ethoxyanilino)-3-pyridinecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(p-phenetidino)nicotinic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C22H24N4O4/c1-2-29-17-9-7-16(8-10-17)25-20-18(6-5-13-24-20)21(28)30-14-19(27)26-22(15-23)11-3-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3,(H,24,25)(H,26,27)