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2H-Benzo[a]quinolizine-2-ethanimidic acid, .alpha.-cyano-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, methyl ester, (2.alpha.,3.alpha.,11b.beta.)-(.+-.)-
SpectraBase Compound ID 3Fq9y0ZowRE
InChI InChI=1S/C21H29N3O3/c1-5-13-12-24-7-6-14-8-19(25-2)20(26-3)10-16(14)18(24)9-15(13)17(11-22)21(23)27-4/h8,10,13,15,17-18,23H,5-7,9,12H2,1-4H3/t13?,15?,17?,18-/m0/s1
InChIKey FAWBQTGWWGGISC-FXPATILMSA-N
Mol Weight 371.48 g/mol
Molecular Formula C21H29N3O3
Exact Mass 371.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgHNkrxIlmM
Name 2H-Benzo[a]quinolizine-2-ethanimidic acid, .alpha.-cyano-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, methyl ester, (2.alpha.,3.alpha.,11b.beta.)-(.+-.)-
CAS Registry Number 61166-45-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29N3O3
InChI InChI=1S/C21H29N3O3/c1-5-13-12-24-7-6-14-8-19(25-2)20(26-3)10-16(14)18(24)9-15(13)17(11-22)21(23)27-4/h8,10,13,15,17-18,23H,5-7,9,12H2,1-4H3/t13?,15?,17?,18-/m0/s1
InChIKey FAWBQTGWWGGISC-FXPATILMSA-N
Molecular Weight 371.481 g/mol
SMILES N=C(C(C1C(CN2[C@](c3cc(OC)c(cc3CC2)OC)(C1)[H])CC)C#N)OC
SPLASH splash10-00di-0192000000-42c52f63930fa501fee8
Source of Spectrum F-32-1156-0
Synonyms Methyl 2-[(11bS)-3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl]-2-cyanoethanimidoate Methyl cyano-3.beta.-ethyl-1,3,4,6,7,11b.alpha.-hexahydro-2H-benzo[a]quinolizin-2.beta.-ylacetimidate
Wiley ID 1355032