5475-57-0
BENZYL 4-(2,3-DICHLOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE
NameBENZYL 4-(2,3-DICHLOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE
pro_formulaC26 H25 Cl2 N O3
1Identification
【Name】
BENZYL 4-(2,3-DICHLOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD00753028
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H25 Cl2 N O3
【pro_molWeight】
470.393
【Inchi】
InChI=1S/C26H25Cl2NO3/c1-15-21(25(31)32-14-16-8-5-4-6-9-16)22(17-10-7-11-18(27)24(17)28)23-19(29-15)12-26(2,3)13-20(23)30/h4-11,22,29H,12-14H2,1-3H3
【InChIKey】
InChIKey=MCVJWFNBRQOJOE-UHFFFAOYSA-N
【SMILES】
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)c3cccc(c3Cl)Cl)C(=O)OCc4ccccc4
【MOL File】
BENZYL 4-(2,3-DICHLO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BENZYL 4-(2,3-DICHLOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE.cml