2-[4-[(6-oxidanylidene-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(6-oxidanylidene-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(6-oxo-2-pentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(6-oxo-2-pentyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(6-oxo-2-pentylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-amyl-6-keto-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=O)C=C2

Isomeric SMILES

CCCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=O)C=C2

InChI

InChI=1S/C27H26N2O3/c1-2-3-4-9-26-28-24-16-14-21(30)15-17-25(24)29(26)18-19-10-12-20(13-11-19)22-7-5-6-8-23(22)27(31)32/h5-8,10-17H,2-4,9,18H2,1H3,(H,31,32)