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

Systemtic Name: (phenylmethyl) 3-(2-acetyloxyethyl)-4,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 3-(2-acetoxyethyl)-4,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3-(2-acetyloxyethyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-acetyloxyethyl)-4,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 3-(2-acetoxyethyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCOC(=O)C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(NC(=C1CCOC(=O)C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C18H21NO4/c1-12-13(2)19-17(16(12)9-10-22-14(3)20)18(21)23-11-15-7-5-4-6-8-15/h4-8,19H,9-11H2,1-3H3