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

Systemtic Name: 2-[4-[(5,7-dibutyl-6-oxidanylidene-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5,7-dibutyl-6-oxo-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5,7-dibutyl-6-oxo-2-pentyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5,7-dibutyl-6-oxo-2-pentylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-amyl-5,7-dibutyl-6-keto-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C35H42N2O3 MolecularWeight: 538.71958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)CCCC)CCCC

Isomeric SMILES

CCCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)CCCC)CCCC

InChI

InChI=1S/C35H42N2O3/c1-4-7-10-17-33-36-31-22-27(13-8-5-2)34(38)28(14-9-6-3)23-32(31)37(33)24-25-18-20-26(21-19-25)29-15-11-12-16-30(29)35(39)40/h11-12,15-16,18-23H,4-10,13-14,17,24H2,1-3H3,(H,39,40)