882040-50-8
2,3,4-FURANTRICARBOXYLIC ACID, 5-[(1,1-DIMETHYLETHYL)AMINO]-, 3,4-DIMETHYL 2-(3-PHENYL-2-PROPENYL) ESTER
Name2,3,4-FURANTRICARBOXYLIC ACID, 5-[(1,1-DIMETHYLETHYL)AMINO]-, 3,4-DIMETHYL 2-(3-PHENYL-2-PROPENYL) ESTER
1Identification
【Name】
2,3,4-FURANTRICARBOXYLIC ACID, 5-[(1,1-DIMETHYLETHYL)AMINO]-, 3,4-DIMETHYL 2-(3-PHENYL-2-PROPENYL) ESTER
【CAS】
【MDL】
MFCD17013591
【English Synonyms】
【Formula】
C22 H29 N O7
【MolWeight】
419.471
【Inchi】
InChI=1S/C22H29NO7/c1-19(2,3)23-15-20(4,16(24)25)21(5,17(26)27)22(30-15,18(28)29)13-9-12-14-10-7-6-8-11-14/h6-12,15,23H,13H2,1-5H3,(H,24,25)(H,26,27)(H,28,29)/b12-9+
【InChIKey】
InChIKey=WYKSXVPHRHTRQW-FMIVXFBMSA-N
【SMILES】
CC1(C(OC(C1(C)C(=O)O)(C/C=C/c2ccccc2)C(=O)O)NC(C)(C)C)C(=O)O
【MOL File】
2,3,4-FURANTRICARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,4-FURANTRICARBOXYLIC ACID, 5-[(1,1-DIMETHYLETHYL)AMINO]-, 3,4-DIMETHYL 2-(3-PHENYL-2-PROPENYL) ESTER.cml