ethyl 5-[2-(2-acetamidoethylamino)-2-oxidanylidene-ethanoyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(2-acetamidoethylamino)-2-oxidanylidene-ethanoyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(2-acetamidoethylamino)-2-oxo-acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(2-acetamidoethylamino)-1,2-dioxoethyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-acetamidoethylamino)-2-oxoacetyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(2-acetamidoethylamino)-2-keto-acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C)C(=O)C(=O)NCCNC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C)C(=O)C(=O)NCCNC(=O)C)C

InChI

InChI=1S/C21H25N3O5/c1-5-29-21(28)16-13(3)24-18(17(16)15-8-6-12(2)7-9-15)19(26)20(27)23-11-10-22-14(4)25/h6-9,24H,5,10-11H2,1-4H3,(H,22,25)(H,23,27)