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

Systemtic Name: 5-[(2-chlorophenyl)methoxy]-2-[(4-tetradecanoylpiperazin-1-yl)methyl]pyran-4-one Openeye Name: 5-[(2-chlorophenyl)methoxy]-2-[(4-tetradecanoylpiperazin-1-yl)methyl]pyran-4-one CAS Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(1-oxotetradecyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(2-chlorophenyl)methoxy]-2-[(4-tetradecanoylpiperazin-1-yl)methyl]pyran-4-one Traditional Name: 5-(2-chlorobenzyl)oxy-2-[(4-tetradecanoylpiperazino)methyl]pyran-4-one Formula: C31H45ClN2O4 MolecularWeight: 545.153

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3Cl

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C31H45ClN2O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-31(36)34-20-18-33(19-21-34)23-27-22-29(35)30(25-37-27)38-24-26-15-13-14-16-28(26)32/h13-16,22,25H,2-12,17-21,23-24H2,1H3