6-[7-ethanoyl-3-(4-methylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[7-ethanoyl-3-(4-methylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[7-acetyl-2-phenyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[7-acetyl-3-(4-methylphenyl)-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[7-acetyl-3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[7-acetyl-2-phenyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O4/c1-19-12-14-22(15-13-19)30-25-18-23(34-16-8-4-7-11-26(32)33)17-24(20(2)31)27(25)29-28(30)21-9-5-3-6-10-21/h3,5-6,9-10,12-15,17-18H,4,7-8,11,16H2,1-2H3,(H,32,33)