6-[3-(3,5-dimethylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[3-(3,5-dimethylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[3-(3,5-dimethylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[3-(3,5-dimethylphenyl)-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[3-(3,5-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[3-(3,5-dimethylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C3=C(C=CC(=C3)OCCCCCC(=O)O)N=C2C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C3=C(C=CC(=C3)OCCCCCC(=O)O)N=C2C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N2O3/c1-19-15-20(2)17-22(16-19)29-25-18-23(32-14-8-4-7-11-26(30)31)12-13-24(25)28-27(29)21-9-5-3-6-10-21/h3,5-6,9-10,12-13,15-18H,4,7-8,11,14H2,1-2H3,(H,30,31)