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

Systemtic Name: 2-[4-[[3-(2-cyclohexylethyl)-5-ethyl-2-oxidanylidene-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-(2-cyclohexylethyl)-5-ethyl-2-oxo-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-(2-cyclohexylethyl)-5-ethyl-2-oxo-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-(2-cyclohexylethyl)-5-ethyl-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-(2-cyclohexylethyl)-5-ethyl-2-keto-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4CCCCC4

Isomeric SMILES

CCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4CCCCC4

InChI

InChI=1S/C27H32N2O3/c1-2-23-19-28(17-16-20-8-4-3-5-9-20)27(32)29(23)18-21-12-14-22(15-13-21)24-10-6-7-11-25(24)26(30)31/h6-7,10-15,19-20H,2-5,8-9,16-18H2,1H3,(H,30,31)