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

Systemtic Name: (phenylmethyl) 5-(acetyloxymethyl)-4-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-(acetoxymethyl)-4-(3-ethoxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-(acetyloxymethyl)-4-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(acetyloxymethyl)-4-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(acetoxymethyl)-4-(3-ethoxy-3-keto-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-4-26-19(24)11-10-17-14(2)20(22-18(17)13-27-15(3)23)21(25)28-12-16-8-6-5-7-9-16/h5-9,22H,4,10-13H2,1-3H3