2-[4-[(6-azanyl-4-methyl-2-propyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(6-azanyl-4-methyl-2-propyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(6-amino-4-methyl-2-propyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(6-amino-4-methyl-2-propyl-1-benzimidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(6-amino-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(6-amino-4-methyl-2-propyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)N

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)N

InChI

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