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3-Pyridinecarboxylic acid, 1,6-diamino-5-benzoyl-1,2,3,4-tetrahydro-4-(4-methylphenyl)-2-oxo-, ethyl ester
SpectraBase Compound ID JgRI5pTb1Q1
InChI InChI=1S/C22H23N3O4/c1-3-29-22(28)18-16(14-11-9-13(2)10-12-14)17(20(23)25(24)21(18)27)19(26)15-7-5-4-6-8-15/h4-12,16,18H,3,23-24H2,1-2H3
InChIKey OVAJIJLWUYPAKR-UHFFFAOYSA-N
Mol Weight 393.44 g/mol
Molecular Formula C22H23N3O4
Exact Mass 393.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7AV4N0OMq6
Name 3-Pyridinecarboxylic acid, 1,6-diamino-5-benzoyl-1,2,3,4-tetrahydro-4-(4-methylphenyl)-2-oxo-, ethyl ester
CAS Registry Number 128267-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N3O4
InChI InChI=1S/C22H23N3O4/c1-3-29-22(28)18-16(14-11-9-13(2)10-12-14)17(20(23)25(24)21(18)27)19(26)15-7-5-4-6-8-15/h4-12,16,18H,3,23-24H2,1-2H3
InChIKey OVAJIJLWUYPAKR-UHFFFAOYSA-N
Molecular Weight 393.443 g/mol
SMILES NN1C(C(C(C(=C1N)C(=O)c1ccccc1)c1ccc(cc1)C)C(=O)OCC)=O
SPLASH splash10-00di-0319000000-0a70cb6c5a568c116dd4
Source of Spectrum KC-1989-1978-5
Synonyms Ethyl 1,6-diamino-5-benzoyl-1,2,3,4-tetrahydro-2-oxo-4-(ptolyl)pyridine-3-carboxylate Ethyl 1,6-diamino-5-benzoyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate
Wiley ID 1366288