(phenylmethyl) 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H17NO3/c1-10-14(12(3)18)11(2)17-15(10)16(19)20-9-13-7-5-4-6-8-13/h4-8,17H,9H2,1-3H3