2-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[4-(piperonylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Formula: C29H27N3O5 MolecularWeight: 497.54178

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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)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H27N3O5/c33-28(30-16-18-6-13-25-26(14-18)37-17-36-25)20-9-7-19(8-10-20)27-31-23-15-21(29(34)35)11-12-24(23)32(27)22-4-2-1-3-5-22/h6-15,22H,1-5,16-17H2,(H,30,33)(H,34,35)