2-[[2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[[2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[[2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[[[2-butyl-3-[(2-carboxyoxy-3-phenylphenyl)methyl]-5-benzimidazolyl]amino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[[2-butyl-3-[(2-carboxyoxy-3-phenylphenyl)methyl]benzimidazol-5-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[[2-butyl-3-(2-carboxyoxy-3-phenyl-benzyl)benzimidazol-5-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C34H33N3O6 MolecularWeight: 579.64232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)NC(=O)C5C6CC(C5C(=O)O)C=C6

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)NC(=O)C5C6CC(C5C(=O)O)C=C6

InChI

InChI=1S/C34H33N3O6/c1-2-3-12-28-36-26-16-15-24(35-32(38)29-21-13-14-22(17-21)30(29)33(39)40)18-27(26)37(28)19-23-10-7-11-25(31(23)43-34(41)42)20-8-5-4-6-9-20/h4-11,13-16,18,21-22,29-30H,2-3,12,17,19H2,1H3,(H,35,38)(H,39,40)(H,41,42)