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

Systemtic Name: 2-[4-[[(3-chlorophenyl)methylamino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[(3-chlorophenyl)methylamino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[(3-chlorophenyl)methylamino]methyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[(3-chlorophenyl)methylamino]methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[[(3-chlorobenzyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C28H28ClN3O2 MolecularWeight: 473.99382

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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)CNCC5=CC(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClN3O2/c29-23-6-4-5-20(15-23)18-30-17-19-9-11-21(12-10-19)27-31-25-16-22(28(33)34)13-14-26(25)32(27)24-7-2-1-3-8-24/h4-6,9-16,24,30H,1-3,7-8,17-18H2,(H,33,34)