3-[1-(2-methoxyphenyl)-2-oxidanylidene-cyclohexyl]propanoic acid

Systemtic Name: 3-[1-(2-methoxyphenyl)-2-oxidanylidene-cyclohexyl]propanoic acid Openeye Name: 3-[1-(2-methoxyphenyl)-2-oxo-cyclohexyl]propanoic acid CAS Name: 3-[1-(2-methoxyphenyl)-2-oxocyclohexyl]propanoic acid IUPAC Name: 3-[1-(2-methoxyphenyl)-2-oxocyclohexyl]propanoic acid Traditional Name: 3-[2-keto-1-(2-methoxyphenyl)cyclohexyl]propionic acid Formula: C16H20O4 MolecularWeight: 276.3276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2(CCCCC2=O)CCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2(CCCCC2=O)CCC(=O)O

InChI

InChI=1S/C16H20O4/c1-20-13-7-3-2-6-12(13)16(11-9-15(18)19)10-5-4-8-14(16)17/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,19)