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

Systemtic Name: 3-[2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl]-2-methyl-3-oxo-propanoic acid CAS Name: 3-[2-butyl-3-[(2-carboxyoxy-3-phenylphenyl)methyl]-5-benzimidazolyl]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[2-butyl-3-[(2-carboxyoxy-3-phenylphenyl)methyl]benzimidazol-5-yl]-2-methyl-3-oxopropanoic acid Traditional Name: 3-[2-butyl-3-(2-carboxyoxy-3-phenyl-benzyl)benzimidazol-5-yl]-3-keto-2-methyl-propionic acid Formula: C29H28N2O6 MolecularWeight: 500.54242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O6/c1-3-4-13-25-30-23-15-14-20(26(32)18(2)28(33)34)16-24(23)31(25)17-21-11-8-12-22(27(21)37-29(35)36)19-9-6-5-7-10-19/h5-12,14-16,18H,3-4,13,17H2,1-2H3,(H,33,34)(H,35,36)