5-(1-benzofuran-2-yl)-1-(4-methylphenyl)carbonyl-2-(2-methylpropyl)pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 5-(1-benzofuran-2-yl)-1-(4-methylphenyl)carbonyl-2-(2-methylpropyl)pyrrolidine-2,4-dicarboxylic acid Openeye Name: 5-(benzofuran-2-yl)-2-isobutyl-1-(4-methylbenzoyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 5-(2-benzofuranyl)-1-[(4-methylphenyl)-oxomethyl]-2-(2-methylpropyl)pyrrolidine-2,4-dicarboxylic acid IUPAC Name: 5-(1-benzofuran-2-yl)-1-(4-methylbenzoyl)-2-(2-methylpropyl)pyrrolidine-2,4-dicarboxylic acid Traditional Name: 5-(benzofuran-2-yl)-2-isobutyl-1-p-toluoyl-pyrrolidine-2,4-dicarboxylic acid Formula: C26H27NO6 MolecularWeight: 449.49568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(C(CC2(CC(C)C)C(=O)O)C(=O)O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(C(CC2(CC(C)C)C(=O)O)C(=O)O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C26H27NO6/c1-15(2)13-26(25(31)32)14-19(24(29)30)22(21-12-18-6-4-5-7-20(18)33-21)27(26)23(28)17-10-8-16(3)9-11-17/h4-12,15,19,22H,13-14H2,1-3H3,(H,29,30)(H,31,32)