4-[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenyl-phenyl)benzimidazol-5-yl]-3-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenyl-phenyl)benzimidazol-5-yl]-3-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenyl-phenyl)benzimidazol-5-yl]-3-methyl-4-oxo-butanoic acid CAS Name: 4-[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenylphenyl)-5-benzimidazolyl]-3-methyl-4-oxobutanoic acid IUPAC Name: 4-[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenylphenyl)benzimidazol-5-yl]-3-methyl-4-oxobutanoic acid Traditional Name: 4-[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenyl-phenyl)benzimidazol-5-yl]-4-keto-3-methyl-butyric acid Formula: C30H30N2O6 MolecularWeight: 514.569

Click to see the large picture

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)C(=O)C(C)CC(=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)C(=O)C(C)CC(=O)O

InChI

InChI=1S/C30H30N2O6/c1-4-5-11-26-31-23-14-12-21(28(35)18(2)16-27(33)34)17-25(23)32(26)24-15-13-22(20-9-7-6-8-10-20)29(19(24)3)38-30(36)37/h6-10,12-15,17-18H,4-5,11,16H2,1-3H3,(H,33,34)(H,36,37)