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

Systemtic Name: 2-[3-[[(4-chlorophenyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[(4-chloroanilino)methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[(4-chloroanilino)methyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[(4-chloroanilino)methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[(4-chloroanilino)methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C27H26ClN3O2 MolecularWeight: 459.96724

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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=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN3O2/c28-21-10-12-22(13-11-21)29-17-18-5-4-6-19(15-18)26-30-24-16-20(27(32)33)9-14-25(24)31(26)23-7-2-1-3-8-23/h4-6,9-16,23,29H,1-3,7-8,17H2,(H,32,33)