[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-morpholinopyridine-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridinecarboxylic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 2-morpholinonicotinic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=C(N=CC=C2)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=C(N=CC=C2)N3CCOCC3)C

InChI

InChI=1S/C23H26N4O4/c1-17-13-18(2)15-19(14-17)27(8-4-6-24)21(28)16-31-23(29)20-5-3-7-25-22(20)26-9-11-30-12-10-26/h3,5,7,13-15H,4,8-12,16H2,1-2H3