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

Systemtic Name: 2-[4-[(5,7-dibutyl-2-hexyl-6-oxidanylidene-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5,7-dibutyl-2-hexyl-6-oxo-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5,7-dibutyl-2-hexyl-6-oxo-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5,7-dibutyl-2-hexyl-6-oxocyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5,7-dibutyl-2-hexyl-6-keto-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C36H44N2O3 MolecularWeight: 552.74616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)CCCC)CCCC

Isomeric SMILES

CCCCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)CCCC)CCCC

InChI

InChI=1S/C36H44N2O3/c1-4-7-10-11-18-34-37-32-23-28(14-8-5-2)35(39)29(15-9-6-3)24-33(32)38(34)25-26-19-21-27(22-20-26)30-16-12-13-17-31(30)36(40)41/h12-13,16-17,19-24H,4-11,14-15,18,25H2,1-3H3,(H,40,41)