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

Systemtic Name: 2-[4-[(4-acetamido-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(4-acetamido-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(4-acetamido-2-butyl-1-benzimidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(4-acetamido-2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-acetamido-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2NC(=O)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2NC(=O)C

InChI

InChI=1S/C27H27N3O3/c1-3-4-12-25-29-26-23(28-18(2)31)10-7-11-24(26)30(25)17-19-13-15-20(16-14-19)21-8-5-6-9-22(21)27(32)33/h5-11,13-16H,3-4,12,17H2,1-2H3,(H,28,31)(H,32,33)