5-[(2-butyl-4-oxidanylidene-cyclohepta[d]imidazol-3-yl)methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[(2-butyl-4-oxidanylidene-cyclohepta[d]imidazol-3-yl)methyl]-2-phenyl-benzoic acid Openeye Name: 5-[(2-butyl-4-oxo-cyclohepta[d]imidazol-3-yl)methyl]-2-phenyl-benzoic acid CAS Name: 5-[(2-butyl-4-oxo-3-cyclohepta[d]imidazolyl)methyl]-2-phenylbenzoic acid IUPAC Name: 5-[(2-butyl-4-oxocyclohepta[d]imidazol-3-yl)methyl]-2-phenylbenzoic acid Traditional Name: 5-[(2-butyl-4-keto-cyclohept[d]imidazol-3-yl)methyl]-2-phenyl-benzoic acid Formula: C26H24N2O3 MolecularWeight: 412.48036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O)C(=O)C=CC=C2

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O)C(=O)C=CC=C2

InChI

InChI=1S/C26H24N2O3/c1-2-3-13-24-27-22-11-7-8-12-23(29)25(22)28(24)17-18-14-15-20(21(16-18)26(30)31)19-9-5-4-6-10-19/h4-12,14-16H,2-3,13,17H2,1H3,(H,30,31)