dimethyl 2-(4-methylphenyl)-5-(2-methylpropyl)-1-(phenylmethyl)pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(4-methylphenyl)-5-(2-methylpropyl)-1-(phenylmethyl)pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 1-benzyl-2-isobutyl-5-(p-tolyl)pyrrole-3,4-dicarboxylate CAS Name: 2-(4-methylphenyl)-5-(2-methylpropyl)-1-(phenylmethyl)pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-benzyl-2-(4-methylphenyl)-5-(2-methylpropyl)pyrrole-3,4-dicarboxylate Traditional Name: 1-benzyl-2-isobutyl-5-(p-tolyl)pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C(N2CC3=CC=CC=C3)CC(C)C)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C(N2CC3=CC=CC=C3)CC(C)C)C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H29NO4/c1-17(2)15-21-22(25(28)30-4)23(26(29)31-5)24(20-13-11-18(3)12-14-20)27(21)16-19-9-7-6-8-10-19/h6-14,17H,15-16H2,1-5H3