(phenylmethyl) 5-(acetyloxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-(acetyloxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-(acetyloxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(acetyloxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c1-4-15-12(2)17(19-16(15)11-22-13(3)20)18(21)23-10-14-8-6-5-7-9-14/h5-9,19H,4,10-11H2,1-3H3