142801-72-7
-ISOQUINOLINEACETIC ACID, 1,2,3,4-TETRAHYDRO-6-METHOXY-, 1,1-DIMETHYLETHYL ESTER, (S)-
Name-ISOQUINOLINEACETIC ACID, 1,2,3,4-TETRAHYDRO-6-METHOXY-, 1,1-DIMETHYLETHYL ESTER, (S)-
1Identification
【Name】
-ISOQUINOLINEACETIC ACID, 1,2,3,4-TETRAHYDRO-6-METHOXY-, 1,1-DIMETHYLETHYL ESTER, (S)-
【CAS】
【MDL】
MFCD11113280
【English Synonyms】
【Formula】
C16 H23 N O3
【MolWeight】
277.362
【Inchi】
InChI=1S/C16H23NO3/c1-16(2,3)20-15(18)10-14-13-6-5-12(19-4)9-11(13)7-8-17-14/h5-6,9,14,17H,7-8,10H2,1-4H3/t14-/m0/s1
【InChIKey】
InChIKey=WDBFQNUIFSHDTA-AWEZNQCLSA-N
【SMILES】
CC(C)(C)OC(=O)C[C@H]1c2ccc(cc2CCN1)OC
【MOL File】
-ISOQUINOLINEACETIC ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
-ISOQUINOLINEACETIC ACID, 1,2,3,4-TETRAHYDRO-6-METHOXY-, 1,1-DIMETHYLETHYL ESTER, (S)-.cml