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

Systemtic Name: 2-[4-[[3-(2-cyclohexylethanoyl)-5-ethyl-2-oxidanylidene-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-(2-cyclohexylacetyl)-5-ethyl-2-oxo-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-(2-cyclohexyl-1-oxoethyl)-5-ethyl-2-oxo-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-(2-cyclohexylacetyl)-5-ethyl-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-(2-cyclohexylacetyl)-5-ethyl-2-keto-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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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)C(=O)CC4CCCCC4

Isomeric SMILES

CCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CC4CCCCC4

InChI

InChI=1S/C27H30N2O4/c1-2-22-18-29(25(30)16-19-8-4-3-5-9-19)27(33)28(22)17-20-12-14-21(15-13-20)23-10-6-7-11-24(23)26(31)32/h6-7,10-15,18-19H,2-5,8-9,16-17H2,1H3,(H,31,32)