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

Systemtic Name: 2-[4-[(2-butyl-5,7-dimethoxy-6-oxidanylidene-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5,7-dimethoxy-6-oxo-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5,7-dimethoxy-6-oxo-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5,7-dimethoxy-6-oxocyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-6-keto-5,7-dimethoxy-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)OC)OC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)OC)OC

InChI

InChI=1S/C28H28N2O5/c1-4-5-10-26-29-22-15-24(34-2)27(31)25(35-3)16-23(22)30(26)17-18-11-13-19(14-12-18)20-8-6-7-9-21(20)28(32)33/h6-9,11-16H,4-5,10,17H2,1-3H3,(H,32,33)