503559-76-0
(E)-METHYL 4-(2-(BENZYLOXY)-4-FLUOROPHENYL)-2,6-DIISOPROPYL-5-(PROP-1-ENYL)NICOTINATE
Name(E)-METHYL 4-(2-(BENZYLOXY)-4-FLUOROPHENYL)-2,6-DIISOPROPYL-5-(PROP-1-ENYL)NICOTINATE
1Identification
【Name】
(E)-METHYL 4-(2-(BENZYLOXY)-4-FLUOROPHENYL)-2,6-DIISOPROPYL-5-(PROP-1-ENYL)NICOTINATE
【CAS】
【MDL】
MFCD18642769
【English Synonyms】
【Formula】
C29 H32 F N O3
【MolWeight】
461.574
【Inchi】
InChI=1S/C29H32FNO3/c1-7-11-23-25(26(29(32)33-6)28(19(4)5)31-27(23)18(2)3)22-15-14-21(30)16-24(22)34-17-20-12-9-8-10-13-20/h7-16,18-19H,17H2,1-6H3/b11-7+
【InChIKey】
InChIKey=QWTRYAHNNFYENI-YRNVUSSQSA-N
【SMILES】
C/C=C/c1c(c(c(nc1C(C)C)C(C)C)C(=O)OC)c2ccc(cc2OCc3ccccc3)F
【MOL File】
(E)-METHYL 4-(2-(BEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E)-METHYL 4-(2-(BENZYLOXY)-4-FLUOROPHENYL)-2,6-DIISOPROPYL-5-(PROP-1-ENYL)NICOTINATE.cml