898762-58-8
ETHYL 4-[3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-4-OXOBUTYRATE
NameETHYL 4-[3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-4-OXOBUTYRATE
1Identification
【Name】
ETHYL 4-[3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-4-OXOBUTYRATE
【CAS】
【MDL】
MFCD03842227
【English Synonyms】
【Formula】
C20 H27 N O5
【MolWeight】
361.435
【Inchi】
InChI=1S/C20H27NO5/c1-2-24-19(23)7-6-18(22)17-5-3-4-16(14-17)15-21-10-8-20(9-11-21)25-12-13-26-20/h3-5,14H,2,6-13,15H2,1H3
【InChIKey】
InChIKey=HWWWPSFSVAXJDM-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCC(=O)c1cccc(c1)CN2CCC3(CC2)OCCO3
【MOL File】
ETHYL 4-[3-[8-(1,4-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-[3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-4-OXOBUTYRATE.cml