2-[4-[[4-(3-oxidanylidene-1H-isoindol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-(3-oxidanylidene-1H-isoindol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(1-oxoisoindolin-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(3-oxo-1H-isoindol-2-yl)-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(3-oxo-1H-isoindol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(1-ketoisoindolin-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C32H27N3O3 MolecularWeight: 501.57508

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2N5CC6=CC=CC=C6C5=O

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2N5CC6=CC=CC=C6C5=O

InChI

InChI=1S/C32H27N3O3/c1-2-8-29-33-30-27(13-7-14-28(30)35-20-23-9-3-4-11-25(23)31(35)36)34(29)19-21-15-17-22(18-16-21)24-10-5-6-12-26(24)32(37)38/h3-7,9-18H,2,8,19-20H2,1H3,(H,37,38)