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

Systemtic Name: 2-[4-[(5,7-dihexyl-6-oxidanylidene-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5,7-dihexyl-6-oxo-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5,7-dihexyl-6-oxo-2-pentyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5,7-dihexyl-6-oxo-2-pentylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-amyl-5,7-dihexyl-6-keto-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C39H50N2O3 MolecularWeight: 594.8259

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C(C1=O)CCCCCC)N(C(=N2)CCCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C(C1=O)CCCCCC)N(C(=N2)CCCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C39H50N2O3/c1-4-7-10-13-17-31-26-35-36(27-32(38(31)42)18-14-11-8-5-2)41(37(40-35)21-12-9-6-3)28-29-22-24-30(25-23-29)33-19-15-16-20-34(33)39(43)44/h15-16,19-20,22-27H,4-14,17-18,21,28H2,1-3H3,(H,43,44)