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

Systemtic Name: 1-cyclohexyl-2-[3-[(pyridin-3-ylamino)methyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[3-[(3-pyridylamino)methyl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[(3-pyridinylamino)methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[3-[(pyridin-3-ylamino)methyl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[3-[(3-pyridylamino)methyl]phenyl]benzimidazole-5-carboxylic acid Formula: C26H26N4O2 MolecularWeight: 426.51024

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O2/c31-26(32)20-11-12-24-23(15-20)29-25(30(24)22-9-2-1-3-10-22)19-7-4-6-18(14-19)16-28-21-8-5-13-27-17-21/h4-8,11-15,17,22,28H,1-3,9-10,16H2,(H,31,32)