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

Systemtic Name: 2-[4-[(5,7-dioctyl-6-oxidanylidene-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5,7-dioctyl-6-oxo-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5,7-dioctyl-6-oxo-2-pentyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5,7-dioctyl-6-oxo-2-pentylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-amyl-6-keto-5,7-dioctyl-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C43H58N2O3 MolecularWeight: 650.93222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C(C1=O)CCCCCCCC)N(C(=N2)CCCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C(C1=O)CCCCCCCC)N(C(=N2)CCCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C43H58N2O3/c1-4-7-10-12-14-17-21-35-30-39-40(31-36(42(35)46)22-18-15-13-11-8-5-2)45(41(44-39)25-16-9-6-3)32-33-26-28-34(29-27-33)37-23-19-20-24-38(37)43(47)48/h19-20,23-24,26-31H,4-18,21-22,25,32H2,1-3H3,(H,47,48)