194713-20-7
ETHYL ALPHA-CYANO-4-(1-PIPERIDINYLCARBONYL)-2-QUINOLINEACETATE
NameETHYL ALPHA-CYANO-4-(1-PIPERIDINYLCARBONYL)-2-QUINOLINEACETATE
1Identification
【Name】
ETHYL ALPHA-CYANO-4-(1-PIPERIDINYLCARBONYL)-2-QUINOLINEACETATE
【CAS】
【MDL】
MFCD01759708
【English Synonyms】
【Formula】
C20 H21 N3 O3
【MolWeight】
351.404
【Inchi】
InChI=1S/C20H21N3O3/c1-2-26-20(25)16(13-21)18-12-15(14-8-4-5-9-17(14)22-18)19(24)23-10-6-3-7-11-23/h4-5,8-9,12,16H,2-3,6-7,10-11H2,1H3
【InChIKey】
InChIKey=HPHZSQDAPRADKK-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(C#N)c1cc(c2ccccc2n1)C(=O)N3CCCCC3
【MOL File】
ETHYL ALPHA-CYANO-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL ALPHA-CYANO-4-(1-PIPERIDINYLCARBONYL)-2-QUINOLINEACETATE.cml