ethyl 2-methyl-5-(4-methylphenyl)-1-[3-oxidanylidene-3-(propylamino)propyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-(4-methylphenyl)-1-[3-oxidanylidene-3-(propylamino)propyl]pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[3-oxo-3-(propylamino)propyl]-5-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2-methyl-5-(4-methylphenyl)-1-[3-oxo-3-(propylamino)propyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(4-methylphenyl)-1-[3-oxo-3-(propylamino)propyl]pyrrole-3-carboxylate Traditional Name: 1-[3-keto-3-(propylamino)propyl]-2-methyl-5-(p-tolyl)pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCN1C(=C(C=C1C2=CC=C(C=C2)C)C(=O)OCC)C

Isomeric SMILES

CCCNC(=O)CCN1C(=C(C=C1C2=CC=C(C=C2)C)C(=O)OCC)C

InChI

InChI=1S/C21H28N2O3/c1-5-12-22-20(24)11-13-23-16(4)18(21(25)26-6-2)14-19(23)17-9-7-15(3)8-10-17/h7-10,14H,5-6,11-13H2,1-4H3,(H,22,24)