4-[(1-cyclohexyl-3-oxidanyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[(1-cyclohexyl-3-oxidanyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[1-(cyclohexylmethyl)-2-hydroxy-ethoxy]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[(1-cyclohexyl-3-hydroxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[(1-cyclohexyl-3-hydroxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[1-(cyclohexylmethyl)-2-hydroxy-ethoxy]methyl]-2-(o-tolyl)benzoic acid Formula: C24H30O4 MolecularWeight: 382.4926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)CO)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)CO)C(=O)O

InChI

InChI=1S/C24H30O4/c1-17-7-5-6-10-21(17)23-14-19(11-12-22(23)24(26)27)16-28-20(15-25)13-18-8-3-2-4-9-18/h5-7,10-12,14,18,20,25H,2-4,8-9,13,15-16H2,1H3,(H,26,27)