2-[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[[(4-tert-butylphenyl)methylamino]-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[(4-tert-butylbenzyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C32H35N3O3 MolecularWeight: 509.6386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

InChI

InChI=1S/C32H35N3O3/c1-32(2,3)25-15-12-21(13-16-25)20-33-30(36)23-9-7-8-22(18-23)29-34-27-19-24(31(37)38)14-17-28(27)35(29)26-10-5-4-6-11-26/h7-9,12-19,26H,4-6,10-11,20H2,1-3H3,(H,33,36)(H,37,38)