[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate CAS Name: 2-(2-methoxyanilino)-3-pyridinecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(o-anisidino)nicotinic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C22H24N4O4/c1-29-18-10-4-3-9-17(18)25-20-16(8-7-13-24-20)21(28)30-14-19(27)26-22(15-23)11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,25)(H,26,27)