(phenylmethyl) 2-(4-methylphenyl)-4-propyl-1H-pyrrole-3-carboxylate

Systemtic Name: (phenylmethyl) 2-(4-methylphenyl)-4-propyl-1H-pyrrole-3-carboxylate Openeye Name: benzyl 4-propyl-2-(p-tolyl)-1H-pyrrole-3-carboxylate CAS Name: 2-(4-methylphenyl)-4-propyl-1H-pyrrole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-methylphenyl)-4-propyl-1H-pyrrole-3-carboxylate Traditional Name: 4-propyl-2-(p-tolyl)-1H-pyrrole-3-carboxylic acid benzyl ester Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CNC(=C1C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CNC(=C1C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H23NO2/c1-3-7-19-14-23-21(18-12-10-16(2)11-13-18)20(19)22(24)25-15-17-8-5-4-6-9-17/h4-6,8-14,23H,3,7,15H2,1-2H3