5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(3,5-dimethylbenzyl)oxy-2-[[4-(2-ethylbutanoyl)piperazino]methyl]pyran-4-one Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4/c1-5-21(6-2)25(29)27-9-7-26(8-10-27)15-22-14-23(28)24(17-30-22)31-16-20-12-18(3)11-19(4)13-20/h11-14,17,21H,5-10,15-16H2,1-4H3