2-[4-[(2-butyl-7-chloranyl-6-oxidanyl-5-oxidanylidene-cyclohepta[d]imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-7-chloranyl-6-oxidanyl-5-oxidanylidene-cyclohepta[d]imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-7-chloro-6-hydroxy-5-oxo-cyclohepta[d]imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-7-chloro-6-hydroxy-5-oxo-1-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-7-chloro-6-hydroxy-5-oxocyclohepta[d]imidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-7-chloro-6-hydroxy-5-keto-cyclohept[d]imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C26H23ClN2O4 MolecularWeight: 462.92482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC(=O)C(=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)Cl)O

Isomeric SMILES

CCCCC1=NC2=CC(=O)C(=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)Cl)O

InChI

InChI=1S/C26H23ClN2O4/c1-2-3-8-24-28-21-14-23(30)25(31)20(27)13-22(21)29(24)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)26(32)33/h4-7,9-14H,2-3,8,15H2,1H3,(H,30,31)(H,32,33)