[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl] 2-morpholinopyridine-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridinecarboxylic acid [2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 2-morpholinonicotinic acid [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=C(N=CC=C3)N4CCOCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=C(N=CC=C3)N4CCOCC4)C

InChI

InChI=1S/C25H27N3O4/c1-17-6-8-20(9-7-17)28-18(2)15-22(19(28)3)23(29)16-32-25(30)21-5-4-10-26-24(21)27-11-13-31-14-12-27/h4-10,15H,11-14,16H2,1-3H3