4-[2-butyl-1-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]-3-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-butyl-1-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]-3-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-butyl-1-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]-3-methyl-4-oxo-butanoic acid CAS Name: 4-[2-butyl-1-[(2-carboxyoxy-3-phenylphenyl)methyl]-5-benzimidazolyl]-3-methyl-4-oxobutanoic acid IUPAC Name: 4-[2-butyl-1-[(2-carboxyoxy-3-phenylphenyl)methyl]benzimidazol-5-yl]-3-methyl-4-oxobutanoic acid Traditional Name: 4-[2-butyl-1-(2-carboxyoxy-3-phenyl-benzyl)benzimidazol-5-yl]-4-keto-3-methyl-butyric acid Formula: C30H30N2O6 MolecularWeight: 514.569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=CC(=C2)C(=O)C(C)CC(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=CC(=C2)C(=O)C(C)CC(=O)O

InChI

InChI=1S/C30H30N2O6/c1-3-4-13-26-31-24-17-21(28(35)19(2)16-27(33)34)14-15-25(24)32(26)18-22-11-8-12-23(29(22)38-30(36)37)20-9-6-5-7-10-20/h5-12,14-15,17,19H,3-4,13,16,18H2,1-2H3,(H,33,34)(H,36,37)