104568-67-4
3,4-DIHYDRO-2-NICOTINOYLOXYETHYL-2,5,7,8-TETRAMETHYL-2H-BENZOPYRAN-6-YL NICOTINATE
Name3,4-DIHYDRO-2-NICOTINOYLOXYETHYL-2,5,7,8-TETRAMETHYL-2H-BENZOPYRAN-6-YL NICOTINATE
1Identification
【Name】
3,4-DIHYDRO-2-NICOTINOYLOXYETHYL-2,5,7,8-TETRAMETHYL-2H-BENZOPYRAN-6-YL NICOTINATE
【CAS】
【MDL】
MFCD01758554
【English Synonyms】
【Formula】
C27 H28 N2 O5
【MolWeight】
460.527
【Inchi】
InChI=1S/C27H28N2O5/c1-17-18(2)24-22(19(3)23(17)33-26(31)21-8-6-13-29-16-21)9-10-27(4,34-24)11-14-32-25(30)20-7-5-12-28-15-20/h5-8,12-13,15-16H,9-11,14H2,1-4H3
【InChIKey】
InChIKey=QPWRLXHOVLBKID-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(c2c1OC(CC2)(C)CCOC(=O)c3cccnc3)C)OC(=O)c4cccnc4)C
【MOL File】
3,4-DIHYDRO-2-NICOTI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,4-DIHYDRO-2-NICOTINOYLOXYETHYL-2,5,7,8-TETRAMETHYL-2H-BENZOPYRAN-6-YL NICOTINATE.cml