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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate CAS Name: 2-(4-ethoxyanilino)-3-pyridinecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(p-phenetidino)nicotinic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C24H28N4O4/c1-3-31-19-11-9-18(10-12-19)27-22-20(8-7-15-26-22)23(30)32-16-21(29)28(2)24(17-25)13-5-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,26,27)