2-[4-[[3-(2-cyclohexylethyl)-2-oxidanylidene-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[3-(2-cyclohexylethyl)-2-oxidanylidene-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-(2-cyclohexylethyl)-2-oxo-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-(2-cyclohexylethyl)-2-oxo-5-propyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-(2-cyclohexylethyl)-2-oxo-5-propylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-(2-cyclohexylethyl)-2-keto-5-propyl-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4CCCCC4

Isomeric SMILES

CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4CCCCC4

InChI

InChI=1S/C28H34N2O3/c1-2-8-24-20-29(18-17-21-9-4-3-5-10-21)28(33)30(24)19-22-13-15-23(16-14-22)25-11-6-7-12-26(25)27(31)32/h6-7,11-16,20-21H,2-5,8-10,17-19H2,1H3,(H,31,32)