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

Systemtic Name: 2-[4-[[5-butan-2-yl-3-(cyclohexylmethyl)-2-oxidanylidene-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-(cyclohexylmethyl)-2-oxo-5-sec-butyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-butan-2-yl-3-(cyclohexylmethyl)-2-oxo-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-butan-2-yl-3-(cyclohexylmethyl)-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-(cyclohexylmethyl)-2-keto-5-sec-butyl-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC4CCCCC4

Isomeric SMILES

CCC(C)C1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC4CCCCC4

InChI

InChI=1S/C28H34N2O3/c1-3-20(2)26-19-29(17-21-9-5-4-6-10-21)28(33)30(26)18-22-13-15-23(16-14-22)24-11-7-8-12-25(24)27(31)32/h7-8,11-16,19-21H,3-6,9-10,17-18H2,1-2H3,(H,31,32)