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

Systemtic Name: 2-[4-[[3-(cyclohexylmethyl)-2-oxidanylidene-5-pentyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-(cyclohexylmethyl)-2-oxo-5-pentyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-(cyclohexylmethyl)-2-oxo-5-pentyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-(cyclohexylmethyl)-2-oxo-5-pentylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-amyl-3-(cyclohexylmethyl)-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:

CCCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC4CCCCC4

Isomeric SMILES

CCCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC4CCCCC4

InChI

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