3-[2-butyl-6-(cyclohexylcarbonylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[2-butyl-6-(cyclohexylcarbonylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-6-(cyclohexanecarbonylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-6-[[cyclohexyl(oxo)methyl]amino]-1-benzimidazolyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-6-(cyclohexanecarbonylamino)benzimidazol-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-butyl-6-(cyclohexanecarbonylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C32H35N3O3 MolecularWeight: 509.6386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C=C2)NC(=O)C5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C=C2)NC(=O)C5CCCCC5

InChI

InChI=1S/C32H35N3O3/c1-3-4-15-29-34-26-18-16-24(33-31(36)23-13-9-6-10-14-23)20-28(26)35(29)27-19-17-25(22-11-7-5-8-12-22)30(21(27)2)32(37)38/h5,7-8,11-12,16-20,23H,3-4,6,9-10,13-15H2,1-2H3,(H,33,36)(H,37,38)