5-[(3-fluorophenyl)methoxy]-2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]pyran-4-one

Systemtic Name: 5-[(3-fluorophenyl)methoxy]-2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]pyran-4-one Openeye Name: 5-[(3-fluorophenyl)methoxy]-2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]pyran-4-one CAS Name: 5-[(3-fluorophenyl)methoxy]-2-[[4-(1-oxotetradecyl)-1,4-diazepan-1-yl]methyl]-4-pyranone IUPAC Name: 5-[(3-fluorophenyl)methoxy]-2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]pyran-4-one Traditional Name: 5-(3-fluorobenzyl)oxy-2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]pyran-4-one Formula: C32H47FN2O4 MolecularWeight: 542.724983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1CCCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC(=CC=C3)F

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1CCCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C32H47FN2O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-32(37)35-19-14-18-34(20-21-35)24-29-23-30(36)31(26-38-29)39-25-27-15-13-16-28(33)22-27/h13,15-16,22-23,26H,2-12,14,17-21,24-25H2,1H3