898762-64-6
ETHYL 6-[3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-6-OXOHEXANOATE
NameETHYL 6-[3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-6-OXOHEXANOATE
1Identification
【Name】
ETHYL 6-[3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-6-OXOHEXANOATE
【CAS】
【MDL】
MFCD03842229
【English Synonyms】
【Formula】
C22 H31 N O5
【MolWeight】
389.489
【Inchi】
InChI=1S/C22H31NO5/c1-2-26-21(25)9-4-3-8-20(24)19-7-5-6-18(16-19)17-23-12-10-22(11-13-23)27-14-15-28-22/h5-7,16H,2-4,8-15,17H2,1H3
【InChIKey】
InChIKey=GYVCNVDGTHUSPG-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCC(=O)c1cccc(c1)CN2CCC3(CC2)OCCO3
【MOL File】
ETHYL 6-[3-[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 6-[3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-6-OXOHEXANOATE.cml