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

Systemtic Name: 2-[4-[(5,7-didecyl-6-oxidanylidene-2-propyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5,7-didecyl-6-oxo-2-propyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5,7-didecyl-6-oxo-2-propyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5,7-didecyl-6-oxo-2-propylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5,7-didecyl-6-keto-2-propyl-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C45H62N2O3 MolecularWeight: 678.98538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H62N2O3/c1-4-7-9-11-13-15-17-19-24-37-32-41-42(33-38(44(37)48)25-20-18-16-14-12-10-8-5-2)47(43(46-41)23-6-3)34-35-28-30-36(31-29-35)39-26-21-22-27-40(39)45(49)50/h21-22,26-33H,4-20,23-25,34H2,1-3H3,(H,49,50)