(phenylmethyl) 4-(1-cyanoethyl)-3-(3-ethoxy-3-oxidanylidene-propyl)-5-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(1-cyanoethyl)-3-(3-ethoxy-3-oxidanylidene-propyl)-5-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(1-cyanoethyl)-3-(3-ethoxy-3-oxo-propyl)-5-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-cyanoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1-cyanoethyl)-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(1-cyanoethyl)-3-(3-ethoxy-3-keto-propyl)-5-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NC(=C1C(C)C#N)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC1=C(NC(=C1C(C)C#N)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4/c1-4-26-18(24)11-10-17-19(14(2)12-22)15(3)23-20(17)21(25)27-13-16-8-6-5-7-9-16/h5-9,14,23H,4,10-11,13H2,1-3H3