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

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy]-2-[(4-tetradecanoylpiperazin-1-yl)methyl]pyran-4-one Openeye Name: 5-[(4-tert-butylphenyl)methoxy]-2-[(4-tetradecanoylpiperazin-1-yl)methyl]pyran-4-one CAS Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(1-oxotetradecyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-tert-butylphenyl)methoxy]-2-[(4-tetradecanoylpiperazin-1-yl)methyl]pyran-4-one Traditional Name: 5-(4-tert-butylbenzyl)oxy-2-[(4-tetradecanoylpiperazino)methyl]pyran-4-one Formula: C35H54N2O4 MolecularWeight: 566.81426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H54N2O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-34(39)37-23-21-36(22-24-37)26-31-25-32(38)33(28-40-31)41-27-29-17-19-30(20-18-29)35(2,3)4/h17-20,25,28H,5-16,21-24,26-27H2,1-4H3