848500-01-6
3-CYANO-2-[4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-PIPERIDINYL]-6-METHYL-4-PYRIDINECARBOXYLIC ACID ETHYL ESTER
Name3-CYANO-2-[4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-PIPERIDINYL]-6-METHYL-4-PYRIDINECARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
3-CYANO-2-[4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-PIPERIDINYL]-6-METHYL-4-PYRIDINECARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD14707764
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H28 N4 O4
【pro_molWeight】
388.465
【Inchi】
InChI=1S/C20H28N4O4/c1-6-27-18(25)15-11-13(2)22-17(16(15)12-21)24-9-7-14(8-10-24)23-19(26)28-20(3,4)5/h11,14H,6-10H2,1-5H3,(H,23,26)
【InChIKey】
InChIKey=JVHKAVSGKVDVIZ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc(nc(c1C#N)N2CCC(CC2)NC(=O)OC(C)(C)C)C
【MOL File】
3-CYANO-2-[4-[[(1,1-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-CYANO-2-[4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-PIPERIDINYL]-6-METHYL-4-PYRIDINECARBOXYLIC ACID ETHYL ESTER.cml