ethyl 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-(p-tolyl)-1H-pyrrole-3-carboxylate CAS Name: 2-[4-(2,6-dimethylphenyl)-1-piperazinyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate Traditional Name: 2-[4-(2,6-dimethylphenyl)piperazino]-5-(p-tolyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C26H31N3O2 MolecularWeight: 417.54324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1)C2=CC=C(C=C2)C)N3CCN(CC3)C4=C(C=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1)C2=CC=C(C=C2)C)N3CCN(CC3)C4=C(C=CC=C4C)C

InChI

InChI=1S/C26H31N3O2/c1-5-31-26(30)22-17-23(21-11-9-18(2)10-12-21)27-25(22)29-15-13-28(14-16-29)24-19(3)7-6-8-20(24)4/h6-12,17,27H,5,13-16H2,1-4H3