1-cyclohexyl-2-[3-[[2-(pyridin-3-ylcarbonylamino)phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[3-[[2-(pyridin-3-ylcarbonylamino)phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[3-[[2-(pyridine-3-carbonylamino)phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[oxo-[2-[[oxo(3-pyridinyl)methyl]amino]anilino]methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[3-[[2-(pyridine-3-carbonylamino)phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[3-[(2-nicotinamidophenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid Formula: C33H29N5O4 MolecularWeight: 559.61446

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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)C(=O)NC5=CC=CC=C5NC(=O)C6=CN=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NC5=CC=CC=C5NC(=O)C6=CN=CC=C6

InChI

InChI=1S/C33H29N5O4/c39-31(36-26-13-4-5-14-27(26)37-32(40)24-10-7-17-34-20-24)22-9-6-8-21(18-22)30-35-28-19-23(33(41)42)15-16-29(28)38(30)25-11-2-1-3-12-25/h4-10,13-20,25H,1-3,11-12H2,(H,36,39)(H,37,40)(H,41,42)