1-cyclohexyl-2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[4-[[2-(3-pyridyl)ethylamino]methyl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[4-[[2-(3-pyridinyl)ethylamino]methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[4-[(2-pyridin-3-ylethylamino)methyl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[4-[[2-(3-pyridyl)ethylamino]methyl]phenyl]benzimidazole-5-carboxylic acid Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)CNCCC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)CNCCC5=CN=CC=C5

InChI

InChI=1S/C28H30N4O2/c33-28(34)23-12-13-26-25(17-23)31-27(32(26)24-6-2-1-3-7-24)22-10-8-21(9-11-22)19-30-16-14-20-5-4-15-29-18-20/h4-5,8-13,15,17-18,24,30H,1-3,6-7,14,16,19H2,(H,33,34)