911228-16-5
SPIRO[4H-AZEPINE-4,2'-[2H-1]BENZOPYRAN]-1(5H)-CARBOXYLIC ACID, 2,3,3',4',6,7-HEXAHYDRO-4'-OXO-, 1,1-DIMETHYLETHYL ESTER
NameSPIRO[4H-AZEPINE-4,2'-[2H-1]BENZOPYRAN]-1(5H)-CARBOXYLIC ACID, 2,3,3',4',6,7-HEXAHYDRO-4'-OXO-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
SPIRO[4H-AZEPINE-4,2'-[2H-1]BENZOPYRAN]-1(5H)-CARBOXYLIC ACID, 2,3,3',4',6,7-HEXAHYDRO-4'-OXO-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD15071779
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H25 N O4
【pro_molWeight】
331.409
【Inchi】
InChI=1S/C19H25NO4/c1-18(2,3)24-17(22)20-11-6-9-19(10-12-20)13-15(21)14-7-4-5-8-16(14)23-19/h4-5,7-8H,6,9-13H2,1-3H3
【InChIKey】
InChIKey=MVNMJSYTCCVZQB-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCCC2(CC1)CC(=O)c3ccccc3O2
【MOL File】
SPIRO[4H-AZEPINE-4,2….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
SPIRO[4H-AZEPINE-4,2'-[2H-1]BENZOPYRAN]-1(5H)-CARBOXYLIC ACID, 2,3,3',4',6,7-HEXAHYDRO-4'-OXO-, 1,1-DIMETHYLETHYL ESTER.cml