2-methyl-2-[3-[(E)-4-[2-(4-methylphenyl)carbonylbenzimidazol-1-yl]but-1-enyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[3-[(E)-4-[2-(4-methylphenyl)carbonylbenzimidazol-1-yl]but-1-enyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[3-[(E)-4-[2-(4-methylbenzoyl)benzimidazol-1-yl]but-1-enyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[3-[(E)-4-[2-[(4-methylphenyl)-oxomethyl]-1-benzimidazolyl]but-1-enyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[3-[(E)-4-[2-(4-methylbenzoyl)benzimidazol-1-yl]but-1-enyl]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[3-[(E)-4-(2-p-toluoylbenzimidazol-1-yl)but-1-enyl]phenoxy]propionic acid Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CCC=CC4=CC(=CC=C4)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CC/C=C/C4=CC(=CC=C4)OC(C)(C)C(=O)O

InChI

InChI=1S/C29H28N2O4/c1-20-14-16-22(17-15-20)26(32)27-30-24-12-4-5-13-25(24)31(27)18-7-6-9-21-10-8-11-23(19-21)35-29(2,3)28(33)34/h4-6,8-17,19H,7,18H2,1-3H3,(H,33,34)/b9-6+