ethyl 5-methanoyl-4-[3-[[methyl(phenylcarbonyl)amino]methyl]pyridin-2-yl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-methanoyl-4-[3-[[methyl(phenylcarbonyl)amino]methyl]pyridin-2-yl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[3-[[benzoyl(methyl)amino]methyl]-2-pyridyl]-5-formyl-1H-pyrrole-3-carboxylate CAS Name: 4-[3-[[benzoyl(methyl)amino]methyl]-2-pyridinyl]-5-formyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[[benzoyl(methyl)amino]methyl]pyridin-2-yl]-5-formyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-[[benzoyl(methyl)amino]methyl]-2-pyridyl]-5-formyl-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=CNC(=C1C2=C(C=CC=N2)CN(C)C(=O)C3=CC=CC=C3)C=O

Isomeric SMILES

CCOC(=O)C1=CNC(=C1C2=C(C=CC=N2)CN(C)C(=O)C3=CC=CC=C3)C=O

InChI

InChI=1S/C22H21N3O4/c1-3-29-22(28)17-12-24-18(14-26)19(17)20-16(10-7-11-23-20)13-25(2)21(27)15-8-5-4-6-9-15/h4-12,14,24H,3,13H2,1-2H3