4-[[3-(cyclohexyloxymethyl)-1,2-oxazolidin-2-yl]methyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[[3-(cyclohexyloxymethyl)-1,2-oxazolidin-2-yl]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[3-(cyclohexoxymethyl)isoxazolidin-2-yl]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[3-(cyclohexyloxymethyl)-2-isoxazolidinyl]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[3-(cyclohexyloxymethyl)-1,2-oxazolidin-2-yl]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[3-(cyclohexoxymethyl)isoxazolidin-2-yl]methyl]-2-(o-tolyl)benzoic acid Formula: C25H31NO4 MolecularWeight: 409.51794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3C(CCO3)COC4CCCCC4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3C(CCO3)COC4CCCCC4)C(=O)O

InChI

InChI=1S/C25H31NO4/c1-18-7-5-6-10-22(18)24-15-19(11-12-23(24)25(27)28)16-26-20(13-14-30-26)17-29-21-8-3-2-4-9-21/h5-7,10-12,15,20-21H,2-4,8-9,13-14,16-17H2,1H3,(H,27,28)