3-[[2-[(4-dimethylaminophenyl)methyl]-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-[(4-dimethylaminophenyl)methyl]-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-[(4-dimethylaminophenyl)methyl]-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[(4-dimethylaminophenyl)methyl]-1-(4-phenylbutyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[(4-dimethylaminophenyl)methyl]-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-[4-(dimethylamino)benzyl]-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C30H34N4O3 MolecularWeight: 498.61596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC2=NC3=C(N2CCCCC4=CC=CC=C4)C=CC(=C3)C(=O)NCCC(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC2=NC3=C(N2CCCCC4=CC=CC=C4)C=CC(=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C30H34N4O3/c1-33(2)25-14-11-23(12-15-25)20-28-32-26-21-24(30(37)31-18-17-29(35)36)13-16-27(26)34(28)19-7-6-10-22-8-4-3-5-9-22/h3-5,8-9,11-16,21H,6-7,10,17-20H2,1-2H3,(H,31,37)(H,35,36)