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

Systemtic Name: 2-[4-[[3-(2-cyclohexylethyl)-5-hexyl-2-oxidanylidene-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-(2-cyclohexylethyl)-5-hexyl-2-oxo-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-(2-cyclohexylethyl)-5-hexyl-2-oxo-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-(2-cyclohexylethyl)-5-hexyl-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-(2-cyclohexylethyl)-5-hexyl-2-keto-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4CCCCC4

Isomeric SMILES

CCCCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4CCCCC4

InChI

InChI=1S/C31H40N2O3/c1-2-3-4-8-13-27-23-32(21-20-24-11-6-5-7-12-24)31(36)33(27)22-25-16-18-26(19-17-25)28-14-9-10-15-29(28)30(34)35/h9-10,14-19,23-24H,2-8,11-13,20-22H2,1H3,(H,34,35)