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

Systemtic Name: 2-[4-[(2-butyl-6-oxidanylidene-5,7-dipentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-6-oxo-5,7-dipentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-6-oxo-5,7-dipentyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-6-oxo-5,7-dipentylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5,7-diamyl-2-butyl-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:

CCCCCC1=CC2=C(C=C(C1=O)CCCCC)N(C(=N2)CCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCCC1=CC2=C(C=C(C1=O)CCCCC)N(C(=N2)CCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C36H44N2O3/c1-4-7-10-14-28-23-32-33(24-29(35(28)39)15-11-8-5-2)38(34(37-32)18-9-6-3)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)