937790-36-8
3(1H)-ISOQUINOLINEACETIC ACID, 2-[(1,1-DIMETHYLETHOXY)CARBONYL]-3,4-DIHYDRO-
Name3(1H)-ISOQUINOLINEACETIC ACID, 2-[(1,1-DIMETHYLETHOXY)CARBONYL]-3,4-DIHYDRO-
1Identification
【Name】
3(1H)-ISOQUINOLINEACETIC ACID, 2-[(1,1-DIMETHYLETHOXY)CARBONYL]-3,4-DIHYDRO-
【CAS】
【MDL】
MFCD11870794
【English Synonyms】
【Formula】
C16 H21 N O4
【MolWeight】
291.345
【Inchi】
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-10-12-7-5-4-6-11(12)8-13(17)9-14(18)19/h4-7,13H,8-10H2,1-3H3,(H,18,19)
【InChIKey】
InChIKey=ZQBQAMXKTHNSQM-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1Cc2ccccc2CC1CC(=O)O
【MOL File】
3(1H)-ISOQUINOLINEAC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3(1H)-ISOQUINOLINEACETIC ACID, 2-[(1,1-DIMETHYLETHOXY)CARBONYL]-3,4-DIHYDRO-.cml