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

Systemtic Name: 3-(2-butyl-5,7-dimethyl-6-oxidanylidene-cyclohepta[d]imidazol-3-yl)-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-(2-butyl-5,7-dimethyl-6-oxo-cyclohepta[d]imidazol-3-yl)-2-methyl-6-phenyl-benzoic acid CAS Name: 3-(2-butyl-5,7-dimethyl-6-oxo-3-cyclohepta[d]imidazolyl)-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-(2-butyl-5,7-dimethyl-6-oxocyclohepta[d]imidazol-3-yl)-2-methyl-6-phenylbenzoic acid Traditional Name: 3-(2-butyl-6-keto-5,7-dimethyl-cyclohept[d]imidazol-3-yl)-2-methyl-6-phenyl-benzoic acid Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C(=O)C(=C2)C)C

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C(=O)C(=C2)C)C

InChI

InChI=1S/C28H28N2O3/c1-5-6-12-25-29-22-15-17(2)27(31)18(3)16-24(22)30(25)23-14-13-21(20-10-8-7-9-11-20)26(19(23)4)28(32)33/h7-11,13-16H,5-6,12H2,1-4H3,(H,32,33)