2-[[3-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methyl-benzoic acid

Systemtic Name: 2-[[3-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methyl-benzoic acid Openeye Name: 2-[[3-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methoxy]cyclohexoxy]methyl]-6-methyl-benzoic acid CAS Name: 2-[[3-[[2-(3-bromophenyl)-5-methyl-4-oxazolyl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid IUPAC Name: 2-[[3-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid Traditional Name: 2-[[3-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methoxy]cyclohexoxy]methyl]-6-methyl-benzoic acid Formula: C26H28BrNO5 MolecularWeight: 514.40822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2CCCC(C2)OCC3=C(OC(=N3)C4=CC(=CC=C4)Br)C)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)COC2CCCC(C2)OCC3=C(OC(=N3)C4=CC(=CC=C4)Br)C)C(=O)O

InChI

InChI=1S/C26H28BrNO5/c1-16-6-3-8-19(24(16)26(29)30)14-31-21-10-5-11-22(13-21)32-15-23-17(2)33-25(28-23)18-7-4-9-20(27)12-18/h3-4,6-9,12,21-22H,5,10-11,13-15H2,1-2H3,(H,29,30)