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

Systemtic Name: (phenylmethyl) 5-(acetyloxymethyl)-4-ethanoyl-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-(acetoxymethyl)-4-acetyl-3-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-5-(acetyloxymethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-acetyl-5-(acetyloxymethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-(acetoxymethyl)-4-acetyl-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=C1CCC(=O)OC)C(=O)OCC2=CC=CC=C2)COC(=O)C

Isomeric SMILES

CC(=O)C1=C(NC(=C1CCC(=O)OC)C(=O)OCC2=CC=CC=C2)COC(=O)C

InChI

InChI=1S/C21H23NO7/c1-13(23)19-16(9-10-18(25)27-3)20(22-17(19)12-28-14(2)24)21(26)29-11-15-7-5-4-6-8-15/h4-8,22H,9-12H2,1-3H3