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

Systemtic Name: 2-[4-[[5-tert-butyl-3-(2-cyclohexylethyl)-2-oxidanylidene-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-tert-butyl-3-(2-cyclohexylethyl)-2-oxo-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-tert-butyl-3-(2-cyclohexylethyl)-2-oxo-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-tert-butyl-3-(2-cyclohexylethyl)-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-tert-butyl-3-(2-cyclohexylethyl)-2-keto-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4CCCCC4

InChI

InChI=1S/C29H36N2O3/c1-29(2,3)26-20-30(18-17-21-9-5-4-6-10-21)28(34)31(26)19-22-13-15-23(16-14-22)24-11-7-8-12-25(24)27(32)33/h7-8,11-16,20-21H,4-6,9-10,17-19H2,1-3H3,(H,32,33)