649722-02-1
1-ISOQUINOLINEACETIC ACID, 1,2,3,4-TETRAHYDRO-7-METHOXY-, ETHYL ESTER
Name1-ISOQUINOLINEACETIC ACID, 1,2,3,4-TETRAHYDRO-7-METHOXY-, ETHYL ESTER
1Identification
【Name】
1-ISOQUINOLINEACETIC ACID, 1,2,3,4-TETRAHYDRO-7-METHOXY-, ETHYL ESTER
【CAS】
【MDL】
MFCD11113275
【English Synonyms】
【Formula】
C14 H19 N O3
【MolWeight】
249.308
【Inchi】
InChI=1S/C14H19NO3/c1-3-18-14(16)9-13-12-8-11(17-2)5-4-10(12)6-7-15-13/h4-5,8,13,15H,3,6-7,9H2,1-2H3
【InChIKey】
InChIKey=HFXHISVDFNVEKF-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CC1c2cc(ccc2CCN1)OC
【MOL File】
1-ISOQUINOLINEACETIC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ISOQUINOLINEACETIC ACID, 1,2,3,4-TETRAHYDRO-7-METHOXY-, ETHYL ESTER.cml