(phenylmethyl) 4-(4-ethoxy-4-oxidanylidene-butanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-ethoxy-4-oxidanylidene-butanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(4-ethoxy-4-oxo-butanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-ethoxy-1,4-dioxobutyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-ethoxy-4-oxobutanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-ethoxy-4-keto-butanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)CCC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C20H23NO5/c1-4-25-17(23)11-10-16(22)18-13(2)19(21-14(18)3)20(24)26-12-15-8-6-5-7-9-15/h5-9,21H,4,10-12H2,1-3H3