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

Systemtic Name: ethyl 2-methyl-5-[2-(3-methylbutylamino)-2-oxidanylidene-ethanoyl]-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(isopentylamino)-2-oxo-acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-[2-(3-methylbutylamino)-1,2-dioxoethyl]-4-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[2-(3-methylbutylamino)-2-oxoacetyl]-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(isoamylamino)-2-keto-acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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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)NCCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-6-28-22(27)17-15(5)24-19(18(17)16-9-7-14(4)8-10-16)20(25)21(26)23-12-11-13(2)3/h7-10,13,24H,6,11-12H2,1-5H3,(H,23,26)