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

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

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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=C5NCC6=CN=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)CNC5=CC=CC=C5NCC6=CN=CC=C6

InChI

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