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Dimethyl ester of 1-[2-[2-(1-cyanoethenyl)-1H-indol-3-yl]ethyl]-1,2-dihydro-3,5-pyridinedicarboxylic acid
SpectraBase Compound ID LsZpYih7LFC
InChI InChI=1S/C22H21N3O4/c1-14(11-23)20-18(17-6-4-5-7-19(17)24-20)8-9-25-12-15(21(26)28-2)10-16(13-25)22(27)29-3/h4-7,10,12,24H,1,8-9,13H2,2-3H3
InChIKey FIPZTEYBFJAHLL-UHFFFAOYSA-N
Mol Weight 391.43 g/mol
Molecular Formula C22H21N3O4
Exact Mass 391.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbmDgQR0bNk
Name Dimethyl ester of 1-[2-[2-(1-cyanoethenyl)-1H-indol-3-yl]ethyl]-1,2-dihydro-3,5-pyridinedicarboxylic acid
CAS Registry Number 77924-77-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O4
InChI InChI=1S/C22H21N3O4/c1-14(11-23)20-18(17-6-4-5-7-19(17)24-20)8-9-25-12-15(21(26)28-2)10-16(13-25)22(27)29-3/h4-7,10,12,24H,1,8-9,13H2,2-3H3
InChIKey FIPZTEYBFJAHLL-UHFFFAOYSA-N
Molecular Weight 391.427 g/mol
SMILES [nH]1c2ccccc2c(c1C(C#N)=C)CCN1C=C(C(=O)OC)C=C(C1)C(=O)OC
SPLASH splash10-0002-0900000000-6865b3bb3d744a0c69ca
Source of Spectrum J-46-3301-0
Synonyms Dimethyl 1-{2-[2-(1-cyanovinyl)-1H-indol-3-yl]ethyl}-1,2-dihydro-3,5-pyridinedicarboxylate
Wiley ID 1365368