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

Systemtic Name: 1-cyclohexyl-2-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[3-[(3-pyridylmethylamino)methyl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[(3-pyridinylmethylamino)methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[3-[(3-pyridylmethylamino)methyl]phenyl]benzimidazole-5-carboxylic acid Formula: C27H28N4O2 MolecularWeight: 440.53682

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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)CNCC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)CNCC5=CN=CC=C5

InChI

InChI=1S/C27H28N4O2/c32-27(33)22-11-12-25-24(15-22)30-26(31(25)23-9-2-1-3-10-23)21-8-4-6-19(14-21)16-29-18-20-7-5-13-28-17-20/h4-8,11-15,17,23,29H,1-3,9-10,16,18H2,(H,32,33)