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

Systemtic Name: 2-[4-[(2-butyl-6-oxidanylidene-5,7-dipropyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-6-oxo-5,7-dipropyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-6-oxo-5,7-dipropyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-6-oxo-5,7-dipropylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-6-keto-5,7-dipropyl-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C32H36N2O3 MolecularWeight: 496.63984

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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)CCC)CCC

Isomeric SMILES

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

InChI

InChI=1S/C32H36N2O3/c1-4-7-14-30-33-28-19-24(10-5-2)31(35)25(11-6-3)20-29(28)34(30)21-22-15-17-23(18-16-22)26-12-8-9-13-27(26)32(36)37/h8-9,12-13,15-20H,4-7,10-11,14,21H2,1-3H3,(H,36,37)