ethyl 2-methyl-5-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-oxo-2-(3-pyridylmethylamino)acetyl]-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 5-[1,2-dioxo-2-(3-pyridinylmethylamino)ethyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[2-oxo-2-(pyridin-3-ylmethylamino)acetyl]-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-keto-2-(3-pyridylmethylamino)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)NCC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)NCC3=CN=CC=C3)C

InChI

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