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

Systemtic Name: 2-[4-[[3-(cyclohexylmethyl)-2-oxidanylidene-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-(cyclohexylmethyl)-2-oxo-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-(cyclohexylmethyl)-2-oxo-5-propyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-(cyclohexylmethyl)-2-oxo-5-propylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-(cyclohexylmethyl)-2-keto-5-propyl-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC4CCCCC4

Isomeric SMILES

CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC4CCCCC4

InChI

InChI=1S/C27H32N2O3/c1-2-8-23-19-28(17-20-9-4-3-5-10-20)27(32)29(23)18-21-13-15-22(16-14-21)24-11-6-7-12-25(24)26(30)31/h6-7,11-16,19-20H,2-5,8-10,17-18H2,1H3,(H,30,31)