898782-07-5
ETHYL 5-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-5-OXOVALERATE
NameETHYL 5-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-5-OXOVALERATE
1Identification
【Name】
ETHYL 5-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-5-OXOVALERATE
【CAS】
【MDL】
MFCD03841718
【English Synonyms】
【Formula】
C21 H29 N O5
【MolWeight】
375.462
【Inchi】
InChI=1S/C21H29NO5/c1-2-25-20(24)5-3-4-19(23)18-8-6-17(7-9-18)16-22-12-10-21(11-13-22)26-14-15-27-21/h6-9H,2-5,10-16H2,1H3
【InChIKey】
InChIKey=HVAJCABNCJCUGO-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCC(=O)c1ccc(cc1)CN2CCC3(CC2)OCCO3
【MOL File】
ETHYL 5-[4-[8-(1,4-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 5-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-5-OXOVALERATE.cml