ethyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-[2-(2-methylpropylamino)-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-[2-(2-methylpropylamino)-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-5-[2-(isobutylamino)-2-oxo-acetyl]-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-methyl-5-[2-(2-methylpropylamino)-1,2-dioxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-[2-(2-methylpropylamino)-2-oxoacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-5-[2-(isobutylamino)-2-keto-acetyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6/c1-7-30-22(27)17-13(4)24-19(20(25)21(26)23-11-12(2)3)18(17)14-8-9-15(28-5)16(10-14)29-6/h8-10,12,24H,7,11H2,1-6H3,(H,23,26)