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

Systemtic Name: ethyl 5-[2-(butylamino)-2-oxidanylidene-ethanoyl]-4-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(butylamino)-2-oxo-acetyl]-4-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(butylamino)-1,2-dioxoethyl]-4-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(butylamino)-2-oxoacetyl]-4-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(butylamino)-2-keto-acetyl]-4-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H26N2O5/c1-5-7-12-22-20(25)19(24)18-17(14-8-10-15(27-4)11-9-14)16(13(3)23-18)21(26)28-6-2/h8-11,23H,5-7,12H2,1-4H3,(H,22,25)