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

Systemtic Name: 2-[4-[[3-(2-cyclohexylethyl)-2-oxidanylidene-5-pentyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-(2-cyclohexylethyl)-2-oxo-5-pentyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-(2-cyclohexylethyl)-2-oxo-5-pentyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-(2-cyclohexylethyl)-2-oxo-5-pentylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-amyl-3-(2-cyclohexylethyl)-2-keto-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C30H38N2O3 MolecularWeight: 474.63432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4CCCCC4

Isomeric SMILES

CCCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4CCCCC4

InChI

InChI=1S/C30H38N2O3/c1-2-3-5-12-26-22-31(20-19-23-10-6-4-7-11-23)30(35)32(26)21-24-15-17-25(18-16-24)27-13-8-9-14-28(27)29(33)34/h8-9,13-18,22-23H,2-7,10-12,19-21H2,1H3,(H,33,34)