2-[4-[[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-(1-azepanyl)-2-butyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[6-(azepan-1-yl)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C31H35N3O2 MolecularWeight: 481.6285

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)N5CCCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)N5CCCCCC5

InChI

InChI=1S/C31H35N3O2/c1-2-3-12-30-32-28-18-17-25(33-19-8-4-5-9-20-33)21-29(28)34(30)22-23-13-15-24(16-14-23)26-10-6-7-11-27(26)31(35)36/h6-7,10-11,13-18,21H,2-5,8-9,12,19-20,22H2,1H3,(H,35,36)