869682-20-2
1,2-PYRROLIDINEDICARBOXYLIC ACID, 3-[(4-FLUOROPHENYL)METHYL]-, 1-(1,1-DIMETHYLETHYL) ESTER, (2R,3R)-REL-
Name1,2-PYRROLIDINEDICARBOXYLIC ACID, 3-[(4-FLUOROPHENYL)METHYL]-, 1-(1,1-DIMETHYLETHYL) ESTER, (2R,3R)-REL-
pro_formulaC17 H22 F N O4
1Identification
【Name】
1,2-PYRROLIDINEDICARBOXYLIC ACID, 3-[(4-FLUOROPHENYL)METHYL]-, 1-(1,1-DIMETHYLETHYL) ESTER, (2R,3R)-REL-
【CAS】
【MDL】
MFCD15071735
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H22 F N O4
【pro_molWeight】
323.362
【Inchi】
InChI=1S/C17H22FNO4/c1-17(2,3)23-16(22)19-9-8-12(14(19)15(20)21)10-11-4-6-13(18)7-5-11/h4-7,12,14H,8-10H2,1-3H3,(H,20,21)/t12-,14+/m0/s1
【InChIKey】
InChIKey=VYMSTISZOFZGCY-GXTWGEPZSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]1C(=O)O)Cc2ccc(cc2)F
【MOL File】
1,2-PYRROLIDINEDICAR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,2-PYRROLIDINEDICARBOXYLIC ACID, 3-[(4-FLUOROPHENYL)METHYL]-, 1-(1,1-DIMETHYLETHYL) ESTER, (2R,3R)-REL-.cml