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

Systemtic Name: 2-[4-[(4-azanyl-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(4-amino-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(4-amino-2-butyl-1-benzimidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(4-amino-2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-amino-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C25H25N3O2 MolecularWeight: 399.4849

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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=CC=C2N

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2N

InChI

InChI=1S/C25H25N3O2/c1-2-3-11-23-27-24-21(26)9-6-10-22(24)28(23)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)25(29)30/h4-10,12-15H,2-3,11,16,26H2,1H3,(H,29,30)