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

Systemtic Name: 2-[4-[(6-oxidanylidene-5,7-diphenoxy-2-propyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(6-oxo-5,7-diphenoxy-2-propyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(6-oxo-5,7-diphenoxy-2-propyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(6-oxo-5,7-diphenoxy-2-propylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(6-keto-5,7-diphenoxy-2-propyl-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C37H30N2O5 MolecularWeight: 582.6445

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)OC5=CC=CC=C5)OC6=CC=CC=C6

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)OC5=CC=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C37H30N2O5/c1-2-11-35-38-31-22-33(43-27-12-5-3-6-13-27)36(40)34(44-28-14-7-4-8-15-28)23-32(31)39(35)24-25-18-20-26(21-19-25)29-16-9-10-17-30(29)37(41)42/h3-10,12-23H,2,11,24H2,1H3,(H,41,42)