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

Systemtic Name: 2-[4-[(5-tert-butyl-3-cyclohexylcarbonyl-2-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-tert-butyl-3-(cyclohexanecarbonyl)-2-oxo-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-tert-butyl-3-[cyclohexyl(oxo)methyl]-2-oxo-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-tert-butyl-3-(cyclohexanecarbonyl)-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-tert-butyl-3-(cyclohexanecarbonyl)-2-keto-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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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)C(=O)C4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)C4CCCCC4

InChI

InChI=1S/C28H32N2O4/c1-28(2,3)24-18-30(25(31)21-9-5-4-6-10-21)27(34)29(24)17-19-13-15-20(16-14-19)22-11-7-8-12-23(22)26(32)33/h7-8,11-16,18,21H,4-6,9-10,17H2,1-3H3,(H,32,33)