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

Systemtic Name: 2-[4-[[6-(azocan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[6-(azocan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-(1-azocanyl)-2-butyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[6-(azocan-1-yl)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[6-(azocan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C32H37N3O2 MolecularWeight: 495.65508

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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)N5CCCCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)N5CCCCCCC5

InChI

InChI=1S/C32H37N3O2/c1-2-3-13-31-33-29-19-18-26(34-20-9-5-4-6-10-21-34)22-30(29)35(31)23-24-14-16-25(17-15-24)27-11-7-8-12-28(27)32(36)37/h7-8,11-12,14-19,22H,2-6,9-10,13,20-21,23H2,1H3,(H,36,37)