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

Systemtic Name: 2-[4-[(2-hexyl-5,7-dimethyl-6-oxidanylidene-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-hexyl-5,7-dimethyl-6-oxo-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-hexyl-5,7-dimethyl-6-oxo-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-hexyl-5,7-dimethyl-6-oxocyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-hexyl-6-keto-5,7-dimethyl-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C30H32N2O3 MolecularWeight: 468.58668

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O3/c1-4-5-6-7-12-28-31-26-17-20(2)29(33)21(3)18-27(26)32(28)19-22-13-15-23(16-14-22)24-10-8-9-11-25(24)30(34)35/h8-11,13-18H,4-7,12,19H2,1-3H3,(H,34,35)