2-[[7-[3-(benzimidazol-1-yl)propoxy]-2-butyl-4-methyl-benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[7-[3-(benzimidazol-1-yl)propoxy]-2-butyl-4-methyl-benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[7-[3-(benzimidazol-1-yl)propoxy]-2-butyl-4-methyl-benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[7-[3-(1-benzimidazolyl)propoxy]-2-butyl-4-methyl-1-benzimidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[7-[3-(benzimidazol-1-yl)propoxy]-2-butyl-4-methylbenzimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[7-[3-(benzimidazol-1-yl)propoxy]-2-butyl-4-methyl-benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Formula: C36H36N4O3 MolecularWeight: 572.69604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)OCCCN5C=NC6=CC=CC=C65)C

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)OCCCN5C=NC6=CC=CC=C65)C

InChI

InChI=1S/C36H36N4O3/c1-3-4-18-32-38-34-25(2)19-20-31(43-22-11-21-39-24-37-29-16-8-9-17-30(29)39)35(34)40(32)23-27-14-10-15-28(33(27)36(41)42)26-12-6-5-7-13-26/h5-10,12-17,19-20,24H,3-4,11,18,21-23H2,1-2H3,(H,41,42)