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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)(C)CC4CCCCC4

Isomeric SMILES

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)(C)CC4CCCCC4

InChI

InChI=1S/C29H36N2O3/c1-3-4-14-26-30-29(2,19-21-10-6-5-7-11-21)28(34)31(26)20-22-15-17-23(18-16-22)24-12-8-9-13-25(24)27(32)33/h8-9,12-13,15-18,21H,3-7,10-11,14,19-20H2,1-2H3,(H,32,33)