(E)-3-[2-[6-(4-tert-butylphenyl)pyridin-2-yl]-3H-benzimidazol-5-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[2-[6-(4-tert-butylphenyl)pyridin-2-yl]-3H-benzimidazol-5-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[2-[6-(4-tert-butylphenyl)-2-pyridyl]-3H-benzimidazol-5-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[2-[6-(4-tert-butylphenyl)-2-pyridinyl]-3H-benzimidazol-5-yl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[2-[6-(4-tert-butylphenyl)pyridin-2-yl]-3H-benzimidazol-5-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[2-[6-(4-tert-butylphenyl)-2-pyridyl]-3H-benzimidazol-5-yl]-2-methyl-acrylic acid Formula: C26H25N3O2 MolecularWeight: 411.4956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC2=C(C=C1)N=C(N2)C3=CC=CC(=N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

Isomeric SMILES

C/C(=C\C1=CC2=C(C=C1)N=C(N2)C3=CC=CC(=N3)C4=CC=C(C=C4)C(C)(C)C)/C(=O)O

InChI

InChI=1S/C26H25N3O2/c1-16(25(30)31)14-17-8-13-21-23(15-17)29-24(28-21)22-7-5-6-20(27-22)18-9-11-19(12-10-18)26(2,3)4/h5-15H,1-4H3,(H,28,29)(H,30,31)/b16-14+