1-cyclohexyl-2-[3-[[[3-(pyridin-3-ylmethylamino)phenyl]amino]methyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[3-[[[3-(pyridin-3-ylmethylamino)phenyl]amino]methyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[3-[[3-(3-pyridylmethylamino)anilino]methyl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[[3-(3-pyridinylmethylamino)anilino]methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[3-[[3-(pyridin-3-ylmethylamino)anilino]methyl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[3-[[3-(3-pyridylmethylamino)anilino]methyl]phenyl]benzimidazole-5-carboxylic acid Formula: C33H33N5O2 MolecularWeight: 531.64742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)CNC5=CC(=CC=C5)NCC6=CN=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)CNC5=CC(=CC=C5)NCC6=CN=CC=C6

InChI

InChI=1S/C33H33N5O2/c39-33(40)26-14-15-31-30(18-26)37-32(38(31)29-12-2-1-3-13-29)25-9-4-7-23(17-25)21-35-27-10-5-11-28(19-27)36-22-24-8-6-16-34-20-24/h4-11,14-20,29,35-36H,1-3,12-13,21-22H2,(H,39,40)