2-[(4-tetradecanoylpiperazin-1-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]pyran-4-one

Systemtic Name: 2-[(4-tetradecanoylpiperazin-1-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]pyran-4-one Openeye Name: 2-[(4-tetradecanoylpiperazin-1-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]pyran-4-one CAS Name: 2-[[4-(1-oxotetradecyl)-1-piperazinyl]methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]-4-pyranone IUPAC Name: 2-[(4-tetradecanoylpiperazin-1-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]pyran-4-one Traditional Name: 2-[(4-tetradecanoylpiperazino)methyl]-5-[4-(trifluoromethyl)benzyl]oxy-pyran-4-one Formula: C32H45F3N2O4 MolecularWeight: 578.70591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C32H45F3N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-31(39)37-20-18-36(19-21-37)23-28-22-29(38)30(25-40-28)41-24-26-14-16-27(17-15-26)32(33,34)35/h14-17,22,25H,2-13,18-21,23-24H2,1H3