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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)C

Isomeric SMILES

CCOCCCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H28N2O5/c1-5-28-13-7-12-23-21(26)20(25)19-18(16-10-8-14(3)9-11-16)17(15(4)24-19)22(27)29-6-2/h8-11,24H,5-7,12-13H2,1-4H3,(H,23,26)