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

Systemtic Name: 2-[4-[(7-chloranyl-6-oxidanyl-5-oxidanylidene-2-propyl-cyclohepta[d]imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(7-chloro-6-hydroxy-5-oxo-2-propyl-cyclohepta[d]imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(7-chloro-6-hydroxy-5-oxo-2-propyl-1-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(7-chloro-6-hydroxy-5-oxo-2-propylcyclohepta[d]imidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(7-chloro-6-hydroxy-5-keto-2-propyl-cyclohept[d]imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C25H21ClN2O4 MolecularWeight: 448.89824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC(=O)C(=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)Cl)O

Isomeric SMILES

CCCC1=NC2=CC(=O)C(=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)Cl)O

InChI

InChI=1S/C25H21ClN2O4/c1-2-5-23-27-20-13-22(29)24(30)19(26)12-21(20)28(23)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)25(31)32/h3-4,6-13H,2,5,14H2,1H3,(H,29,30)(H,31,32)