(4-bromophenyl)methyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: (4-bromophenyl)methyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: (4-bromophenyl)methyl 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylic acid (4-bromobenzyl) ester Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H20BrNO2/c1-14-4-10-19(11-5-14)23-15(2)12-20(16(23)3)21(24)25-13-17-6-8-18(22)9-7-17/h4-12H,13H2,1-3H3