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3-Pyridinecarboxylic acid, 1,6-diamino-5-benzoyl-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-, ethyl ester
SpectraBase Compound ID AEqmmZcf2oo
InChI InChI=1S/C22H23N3O5/c1-3-30-22(28)18-16(13-9-11-15(29-2)12-10-13)17(20(23)25(24)21(18)27)19(26)14-7-5-4-6-8-14/h4-12,16,18H,3,23-24H2,1-2H3
InChIKey KXGYMNNABAJZAH-UHFFFAOYSA-N
Mol Weight 409.44 g/mol
Molecular Formula C22H23N3O5
Exact Mass 409.163771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dkf194zqB4
Name 3-Pyridinecarboxylic acid, 1,6-diamino-5-benzoyl-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-, ethyl ester
CAS Registry Number 128267-04-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N3O5
InChI InChI=1S/C22H23N3O5/c1-3-30-22(28)18-16(13-9-11-15(29-2)12-10-13)17(20(23)25(24)21(18)27)19(26)14-7-5-4-6-8-14/h4-12,16,18H,3,23-24H2,1-2H3
InChIKey KXGYMNNABAJZAH-UHFFFAOYSA-N
Molecular Weight 409.442 g/mol
SMILES NN1C(C(C(C(=C1N)C(=O)c1ccccc1)c1ccc(cc1)OC)C(=O)OCC)=O
SPLASH splash10-0a4r-4819200000-7dbfe2661152fe027993
Source of Spectrum KC-1989-1978-5
Synonyms Ethyl 1,6-diamino-5-benzoyl-1,2,3,4-tetrahydro-4-(p-methoxyphenyl)-2-oxopyridine-3-carboxylate Ethyl 1,6-diamino-5-benzoyl-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate
Wiley ID 1373326