2-[4-[[3-chloranyl-7-(3-oxidanylidene-1H-isoindol-2-yl)-2-propyl-benzimidazol-5-yl]methyl]phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[[3-chloranyl-7-(3-oxidanylidene-1H-isoindol-2-yl)-2-propyl-benzimidazol-5-yl]methyl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[[3-chloro-7-(1-oxoisoindolin-2-yl)-2-propyl-benzimidazol-5-yl]methyl]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[[3-chloro-7-(3-oxo-1H-isoindol-2-yl)-2-propyl-5-benzimidazolyl]methyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[[3-chloro-7-(3-oxo-1H-isoindol-2-yl)-2-propylbenzimidazol-5-yl]methyl]phenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[[3-chloro-7-(1-ketoisoindolin-2-yl)-2-propyl-benzimidazol-5-yl]methyl]phenoxy]-2-phenyl-acetic acid Formula: C33H28ClN3O4 MolecularWeight: 566.04612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1Cl)C=C(C=C2N3CC4=CC=CC=C4C3=O)CC5=CC=C(C=C5)OC(C6=CC=CC=C6)C(=O)O

Isomeric SMILES

CCCC1=NC2=C(N1Cl)C=C(C=C2N3CC4=CC=CC=C4C3=O)CC5=CC=C(C=C5)OC(C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C33H28ClN3O4/c1-2-8-29-35-30-27(36-20-24-11-6-7-12-26(24)32(36)38)18-22(19-28(30)37(29)34)17-21-13-15-25(16-14-21)41-31(33(39)40)23-9-4-3-5-10-23/h3-7,9-16,18-19,31H,2,8,17,20H2,1H3,(H,39,40)