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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-methyl-5-[2-(3-methylbutylamino)-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(isopentylamino)-2-oxo-acetyl]-4-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-methyl-5-[2-(3-methylbutylamino)-1,2-dioxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-methyl-5-[2-(3-methylbutylamino)-2-oxoacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(isoamylamino)-2-keto-acetyl]-4-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-6-29-22(27)17-14(4)24-19(20(25)21(26)23-12-11-13(2)3)18(17)15-7-9-16(28-5)10-8-15/h7-10,13,24H,6,11-12H2,1-5H3,(H,23,26)