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4-Isoquinolineacetic acid, .alpha.-(1,3-benzodioxol-5-ylmethylene)-1,2-dihydro-3,7-dimethoxy-2-m ethyl-1-oxo-, ethyl ester, (E)-

View entire compound with spectra: 1 MS (GC)

4-Isoquinolineacetic acid, .alpha.-(1,3-benzodioxol-5-ylmethylene)-1,2-dihydro-3,7-dimethoxy-2-m ethyl-1-oxo-, ethyl ester, (E)-
SpectraBase Compound ID 6UEJwGVFd71
InChI InChI=1S/C24H23NO7/c1-5-30-24(27)18(10-14-6-9-19-20(11-14)32-13-31-19)21-16-8-7-15(28-3)12-17(16)22(26)25(2)23(21)29-4/h6-12H,5,13H2,1-4H3/b18-10+
InChIKey GNIQHGBQMOOWFI-VCHYOVAHSA-N
Mol Weight 437.45 g/mol
Molecular Formula C24H23NO7
Exact Mass 437.147452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFTL6HMU9HL
Name 4-Isoquinolineacetic acid, .alpha.-(1,3-benzodioxol-5-ylmethylene)-1,2-dihydro-3,7-dimethoxy-2-m ethyl-1-oxo-, ethyl ester, (E)-
CAS Registry Number 82083-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23NO7
InChI InChI=1S/C24H23NO7/c1-5-30-24(27)18(10-14-6-9-19-20(11-14)32-13-31-19)21-16-8-7-15(28-3)12-17(16)22(26)25(2)23(21)29-4/h6-12H,5,13H2,1-4H3/b18-10+
InChIKey GNIQHGBQMOOWFI-VCHYOVAHSA-N
Molecular Weight 437.448 g/mol
SMILES C1(=C(N(C)C(c2c1ccc(OC)c2)=O)OC)\C(=C/c1cc2OCOc2cc1)C(=O)OCC
SPLASH splash10-000i-0023900000-02e7dde53ad4f12b07f1
Source of Spectrum F-37-4325-0
Synonyms E-ethyl .alpha.-piperonylidene-1,2-dihydro-3,7-dimethoxy-2-methyl-1-oxo-4-isoquinolineacetate Ethyl (2E)-3-(1,3-benzodioxol-5-yl)-2-(3,7-dimethoxy-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)-2-propenoate
Wiley ID 1383803