5-[[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[6-(1-azepanyl)-2-butyl-1-benzimidazolyl]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[6-(azepan-1-yl)-2-butylbenzimidazol-1-yl]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]-2-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=C4)C(=O)O)C=C(C=C2)N5CCCCCC5

Isomeric SMILES

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

InChI

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