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

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-phenylmethoxyethanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 2-[[4-(2-benzyloxyacetyl)piperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(1-oxo-2-phenylmethoxyethyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-phenylmethoxyacetyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 2-[[4-(2-benzoxyacetyl)piperazino]methyl]-5-(3,5-dimethylbenzyl)oxy-pyran-4-one Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)COCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)COCC4=CC=CC=C4)C

InChI

InChI=1S/C28H32N2O5/c1-21-12-22(2)14-24(13-21)18-35-27-19-34-25(15-26(27)31)16-29-8-10-30(11-9-29)28(32)20-33-17-23-6-4-3-5-7-23/h3-7,12-15,19H,8-11,16-18,20H2,1-2H3