3209-95-8
ALPHA-(1-NAPHTHYLMETHYL)TETRAHYDRO-2-FURANPROPIONIC ACID 2-PIPERIDINOE THYL ESTER OXALATE
NameALPHA-(1-NAPHTHYLMETHYL)TETRAHYDRO-2-FURANPROPIONIC ACID 2-PIPERIDINOE THYL ESTER OXALATE
FormulaC25 H33 N O3 . C2 H2 O4
1Identification
【Name】
ALPHA-(1-NAPHTHYLMETHYL)TETRAHYDRO-2-FURANPROPIONIC ACID 2-PIPERIDINOE THYL ESTER OXALATE
【CAS】
【MDL】
MFCD01725797
【English Synonyms】
【Formula】
C25 H33 N O3 . C2 H2 O4
【MolWeight】
485.573
【Inchi】
InChI=1S/C25H33NO3.C2H2O4/c27-25(29-17-15-26-13-4-1-5-14-26)22(19-23-11-7-16-28-23)18-21-10-6-9-20-8-2-3-12-24(20)21;3-1(4)2(5)6/h2-3,6,8-10,12,22-23H,1,4-5,7,11,13-19H2;(H,3,4)(H,5,6)
【InChIKey】
InChIKey=QUJSVBSYVNCXBP-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)cccc2CC(CC3CCCO3)C(=O)OCCN4CCCCC4.C(=O)(C(=O)O)O
【MOL File】
ALPHA-(1-NAPHTHYLMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA-(1-NAPHTHYLMETHYL)TETRAHYDRO-2-FURANPROPIONIC ACID 2-PIPERIDINOE THYL ESTER OXALATE.cml