ethyl 2-methyl-5-[2-[(6-methylpyridin-2-yl)amino]-2-oxidanylidene-ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[2-[(6-methylpyridin-2-yl)amino]-2-oxidanylidene-ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-[(6-methyl-2-pyridyl)amino]-2-oxo-acetyl]-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-1,2-dioxoethyl]-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[2-[(6-methylpyridin-2-yl)amino]-2-oxoacetyl]-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-keto-2-[(6-methyl-2-pyridyl)amino]acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)NC3=CC=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)NC3=CC=CC(=N3)C)C

InChI

InChI=1S/C22H21N3O4/c1-4-29-22(28)17-14(3)24-19(18(17)15-10-6-5-7-11-15)20(26)21(27)25-16-12-8-9-13(2)23-16/h5-12,24H,4H2,1-3H3,(H,23,25,27)