(phenylmethyl) 4-ethanoyl-3-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-ethanoyl-3-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-acetyl-3-(3-methoxy-3-oxo-propyl)-5-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-acetyl-3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3-(3-keto-3-methoxy-propyl)-5-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)CCC(=O)OC)C(=O)C

Isomeric SMILES

CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)CCC(=O)OC)C(=O)C

InChI

InChI=1S/C19H21NO5/c1-12-17(13(2)21)15(9-10-16(22)24-3)18(20-12)19(23)25-11-14-7-5-4-6-8-14/h4-8,20H,9-11H2,1-3H3