282524-92-9
1-CARBOXYMETHYL-6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
Name1-CARBOXYMETHYL-6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
1-CARBOXYMETHYL-6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD02258126
【English Synonyms】
【Formula】
C18 H25 N O6
【MolWeight】
351.397
【Inchi】
InChI=1S/C18H25NO6/c1-18(2,3)25-17(22)19-7-6-11-8-14(23-4)15(24-5)9-12(11)13(19)10-16(20)21/h8-9,13H,6-7,10H2,1-5H3,(H,20,21)
【InChIKey】
InChIKey=FWZODGSEBDLSLX-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2cc(c(cc2C1CC(=O)O)OC)OC
【MOL File】
1-CARBOXYMETHYL-6,7-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-CARBOXYMETHYL-6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER.cml