898782-13-3
ETHYL 7-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-7-OXOHEPTANOATE
NameETHYL 7-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-7-OXOHEPTANOATE
1Identification
【Name】
ETHYL 7-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-7-OXOHEPTANOATE
【CAS】
【MDL】
MFCD03841720
【English Synonyms】
【Formula】
C23 H33 N O5
【MolWeight】
403.516
【Inchi】
InChI=1S/C23H33NO5/c1-2-27-22(26)7-5-3-4-6-21(25)20-10-8-19(9-11-20)18-24-14-12-23(13-15-24)28-16-17-29-23/h8-11H,2-7,12-18H2,1H3
【InChIKey】
InChIKey=YBUQJZDFYVRJJY-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCCC(=O)c1ccc(cc1)CN2CCC3(CC2)OCCO3
【MOL File】
ETHYL 7-[4-[8-(1,4-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 7-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-7-OXOHEPTANOATE.cml