2-[4-[(5,7-didecyl-6-oxidanylidene-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(5,7-didecyl-6-oxidanylidene-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5,7-didecyl-6-oxo-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5,7-didecyl-6-oxo-2-pentyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5,7-didecyl-6-oxo-2-pentylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-amyl-5,7-didecyl-6-keto-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C47H66N2O3 MolecularWeight: 707.03854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC2=C(C=C(C1=O)CCCCCCCCCC)N(C(=N2)CCCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC2=C(C=C(C1=O)CCCCCCCCCC)N(C(=N2)CCCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C47H66N2O3/c1-4-7-10-12-14-16-18-21-25-39-34-43-44(35-40(46(39)50)26-22-19-17-15-13-11-8-5-2)49(45(48-43)29-20-9-6-3)36-37-30-32-38(33-31-37)41-27-23-24-28-42(41)47(51)52/h23-24,27-28,30-35H,4-22,25-26,29,36H2,1-3H3,(H,51,52)