2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-oxidanylidene-ethanoic acid; 1-ethyl-3-phenyl-piperidin-2-one

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-oxidanylidene-ethanoic acid; 1-ethyl-3-phenyl-piperidin-2-one Openeye Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-oxo-acetic acid; 1-ethyl-3-phenyl-piperidin-2-one CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-oxoacetic acid; 1-ethyl-3-phenyl-2-piperidinone IUPAC Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-oxoacetic acid; 1-ethyl-3-phenylpiperidin-2-one Traditional Name: 2-[3,5-bis(trifluoromethyl)benzyl]oxy-2-keto-acetic acid; 1-ethyl-3-phenyl-2-piperidone Formula: C24H23F6NO5 MolecularWeight: 519.433539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1=O)C2=CC=CC=C2.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)COC(=O)C(=O)O

Isomeric SMILES

CCN1CCCC(C1=O)C2=CC=CC=C2.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)COC(=O)C(=O)O

InChI

InChI=1S/C13H17NO.C11H6F6O4/c1-2-14-10-6-9-12(13(14)15)11-7-4-3-5-8-11;12-10(13,14)6-1-5(4-21-9(20)8(18)19)2-7(3-6)11(15,16)17/h3-5,7-8,12H,2,6,9-10H2,1H3;1-3H,4H2,(H,18,19)