500268-32-6
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-1-[2-(DIMETHYLAMINO)ETHYL]-5-(4-ETHOXY-3-METHOXYPHENYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE
Name4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-1-[2-(DIMETHYLAMINO)ETHYL]-5-(4-ETHOXY-3-METHOXYPHENYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE
1Identification
【Name】
4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-1-[2-(DIMETHYLAMINO)ETHYL]-5-(4-ETHOXY-3-METHOXYPHENYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE
【CAS】
【MDL】
MFCD03299637
【English Synonyms】
【Formula】
C32 H36 N2 O6
【MolWeight】
544.644
【Inchi】
InChI=1S/C32H36N2O6/c1-6-39-26-15-12-23(19-27(26)38-5)29-28(31(36)32(37)34(29)17-16-33(3)4)30(35)25-14-13-24(18-21(25)2)40-20-22-10-8-7-9-11-22/h7-15,18-19,29,36H,6,16-17,20H2,1-5H3
【InChIKey】
InChIKey=VTRUJDYLMVBSNK-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(cc3C)OCc4ccccc4
【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-(DIMETHYLAMINO)ETHYL]-5-(4-ETHOXY-3-METHOXYPHENYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE.cml