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

Systemtic Name: ethyl 5-[2-(3-imidazol-1-ylpropylamino)-2-oxidanylidene-ethanoyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(3-imidazol-1-ylpropylamino)-2-oxo-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[3-(1-imidazolyl)propylamino]-1,2-dioxoethyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-imidazol-1-ylpropylamino)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(3-imidazol-1-ylpropylamino)-2-keto-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)NCCCN3C=CN=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)NCCCN3C=CN=C3)C

InChI

InChI=1S/C22H24N4O4/c1-3-30-22(29)17-15(2)25-19(18(17)16-8-5-4-6-9-16)20(27)21(28)24-10-7-12-26-13-11-23-14-26/h4-6,8-9,11,13-14,25H,3,7,10,12H2,1-2H3,(H,24,28)