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

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(4-tert-butylbenzyl)oxy-2-[[4-(2-ethylbutanoyl)piperazino]methyl]pyran-4-one Formula: C27H38N2O4 MolecularWeight: 454.60162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O4/c1-6-21(7-2)26(31)29-14-12-28(13-15-29)17-23-16-24(30)25(19-32-23)33-18-20-8-10-22(11-9-20)27(3,4)5/h8-11,16,19,21H,6-7,12-15,17-18H2,1-5H3