497243-43-3
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-5-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
Name4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-5-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
1Identification
【Name】
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-5-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
【CAS】
【MDL】
MFCD03300243
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C33 H30 N2 O6
【pro_molWeight】
550.608
【Inchi】
InChI=1S/C33H30N2O6/c1-21-16-25(41-20-22-8-5-4-6-9-22)12-13-26(21)31(36)29-30(24-11-14-27(39-2)28(17-24)40-3)35(33(38)32(29)37)19-23-10-7-15-34-18-23/h4-18,30,37H,19-20H2,1-3H3
【InChIKey】
InChIKey=OJPIDZCBZYACLQ-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)Cc4cccnc4)O)OCc5ccccc5
【MOL File】
4-[4-(BENZYLOXY)-2-M….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-5-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE.cml