500270-88-2
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-1-[2-(DIETHYLAMINO)ETHYL]-5-(4-ETHOXY-3-METHOXYPHENYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE
Name4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-1-[2-(DIETHYLAMINO)ETHYL]-5-(4-ETHOXY-3-METHOXYPHENYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE
1Identification
【Name】
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-1-[2-(DIETHYLAMINO)ETHYL]-5-(4-ETHOXY-3-METHOXYPHENYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE
【CAS】
【MDL】
MFCD03299916
【English Synonyms】
【Formula】
C34 H40 N2 O6
【MolWeight】
572.698
【Inchi】
InChI=1S/C34H40N2O6/c1-6-35(7-2)18-19-36-31(25-14-17-28(41-8-3)29(21-25)40-5)30(33(38)34(36)39)32(37)27-16-15-26(20-23(27)4)42-22-24-12-10-9-11-13-24/h9-17,20-21,31,38H,6-8,18-19,22H2,1-5H3
【InChIKey】
InChIKey=PDYGNIITUIKPGV-UHFFFAOYSA-N
【SMILES】
CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2C)OCc3ccccc3)c4ccc(c(c4)OC)OCC
【MOL File】
4-[4-(BENZYLOXY)-2-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-1-[2-(DIETHYLAMINO)ETHYL]-5-(4-ETHOXY-3-METHOXYPHENYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE.cml