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

Systemtic Name: 2-[4-[(2-hexyl-6-oxidanylidene-5,7-dipropyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-hexyl-6-oxo-5,7-dipropyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-hexyl-6-oxo-5,7-dipropyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-hexyl-6-oxo-5,7-dipropylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-hexyl-6-keto-5,7-dipropyl-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C34H40N2O3 MolecularWeight: 524.693

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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)CCC)CCC

Isomeric SMILES

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

InChI

InChI=1S/C34H40N2O3/c1-4-7-8-9-16-32-35-30-21-26(12-5-2)33(37)27(13-6-3)22-31(30)36(32)23-24-17-19-25(20-18-24)28-14-10-11-15-29(28)34(38)39/h10-11,14-15,17-22H,4-9,12-13,16,23H2,1-3H3,(H,38,39)