2-[[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenyl-phenyl)benzimidazol-5-yl]amino]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenyl-phenyl)benzimidazol-5-yl]amino]cyclohexene-1-carboxylic acid Openeye Name: 2-[[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenyl-phenyl)benzimidazol-5-yl]amino]cyclohexene-1-carboxylic acid CAS Name: 2-[[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenylphenyl)-5-benzimidazolyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenylphenyl)benzimidazol-5-yl]amino]cyclohexene-1-carboxylic acid Traditional Name: 2-[[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenyl-phenyl)benzimidazol-5-yl]amino]cyclohexene-1-carboxylic acid Formula: C32H33N3O5 MolecularWeight: 539.62152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)NC5=C(CCCC5)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)NC5=C(CCCC5)C(=O)O

InChI

InChI=1S/C32H33N3O5/c1-3-4-14-29-34-26-17-15-22(33-25-13-9-8-12-24(25)31(36)37)19-28(26)35(29)27-18-16-23(21-10-6-5-7-11-21)30(20(27)2)40-32(38)39/h5-7,10-11,15-19,33H,3-4,8-9,12-14H2,1-2H3,(H,36,37)(H,38,39)