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3-Pyridinecarboxylic acid, 1,6-diamino-5-benzoyl-1,2,3,4-tetrahydro-2-oxo-4-phenyl-, ethyl ester
SpectraBase Compound ID 55xiaKfFqdC
InChI InChI=1S/C21H21N3O4/c1-2-28-21(27)17-15(13-9-5-3-6-10-13)16(19(22)24(23)20(17)26)18(25)14-11-7-4-8-12-14/h3-12,15,17H,2,22-23H2,1H3
InChIKey RFDKFAANGFNIQV-UHFFFAOYSA-N
Mol Weight 379.42 g/mol
Molecular Formula C21H21N3O4
Exact Mass 379.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QzfRKmtzj0
Name 3-Pyridinecarboxylic acid, 1,6-diamino-5-benzoyl-1,2,3,4-tetrahydro-2-oxo-4-phenyl-, ethyl ester
CAS Registry Number 128267-02-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O4
InChI InChI=1S/C21H21N3O4/c1-2-28-21(27)17-15(13-9-5-3-6-10-13)16(19(22)24(23)20(17)26)18(25)14-11-7-4-8-12-14/h3-12,15,17H,2,22-23H2,1H3
InChIKey RFDKFAANGFNIQV-UHFFFAOYSA-N
Molecular Weight 379.416 g/mol
SMILES NN1C(C(C(C(=C1N)C(=O)c1ccccc1)c1ccccc1)C(=O)OCC)=O
SPLASH splash10-0a4i-0549000000-ac5b7984d32ff8c4e6dd
Source of Spectrum KC-1989-1978-5
Synonyms Ethyl 1,6-diamino-5-benzoyl-1,2,3,4-tetrahydro-2-oxo-4-phenylpyridine-3-carboxylate Ethyl 1,6-diamino-5-benzoyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-3-pyridinecarboxylate
Wiley ID 1359284