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

Systemtic Name: 5-[(4-fluorophenyl)methoxy]-2-[(4-tetradecanoylpiperazin-1-yl)methyl]pyran-4-one Openeye Name: 5-[(4-fluorophenyl)methoxy]-2-[(4-tetradecanoylpiperazin-1-yl)methyl]pyran-4-one CAS Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(1-oxotetradecyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-fluorophenyl)methoxy]-2-[(4-tetradecanoylpiperazin-1-yl)methyl]pyran-4-one Traditional Name: 5-(4-fluorobenzyl)oxy-2-[(4-tetradecanoylpiperazino)methyl]pyran-4-one Formula: C31H45FN2O4 MolecularWeight: 528.698403

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)F

Isomeric SMILES

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

InChI

InChI=1S/C31H45FN2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-31(36)34-20-18-33(19-21-34)23-28-22-29(35)30(25-37-28)38-24-26-14-16-27(32)17-15-26/h14-17,22,25H,2-13,18-21,23-24H2,1H3