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

Systemtic Name: 2-[4-[(5,7-diheptyl-6-oxidanylidene-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5,7-diheptyl-6-oxo-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5,7-diheptyl-6-oxo-2-pentyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5,7-diheptyl-6-oxo-2-pentylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-amyl-5,7-diheptyl-6-keto-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C41H54N2O3 MolecularWeight: 622.87906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C=C(C1=O)CCCCCCC)N(C(=N2)CCCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCCCCC1=CC2=C(C=C(C1=O)CCCCCCC)N(C(=N2)CCCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C41H54N2O3/c1-4-7-10-12-15-19-33-28-37-38(29-34(40(33)44)20-16-13-11-8-5-2)43(39(42-37)23-14-9-6-3)30-31-24-26-32(27-25-31)35-21-17-18-22-36(35)41(45)46/h17-18,21-22,24-29H,4-16,19-20,23,30H2,1-3H3,(H,45,46)