2-Benzyl-3-keto-3-[(5-phenylpyrimidin-4-yl)amino]propionic acid ethyl ester

SpectraBase Compound ID	EVl55t4XJ4H
InChI	InChI=1S/C22H21N3O3/c1-2-28-22(27)18(13-16-9-5-3-6-10-16)21(26)25-20-19(14-23-15-24-20)17-11-7-4-8-12-17/h3-12,14-15,18H,2,13H2,1H3,(H,23,24,25,26)
InChIKey	MJZDRKWBEOVCKJ-UHFFFAOYSA-N Google Search
Mol Weight	375.43 g/mol
Molecular Formula	C22H21N3O3
Exact Mass	375.158292 g/mol

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SpectraBase Spectrum ID	16reVWsyzg3
Name	2-Benzyl-3-keto-3-[(5-phenylpyrimidin-4-yl)amino]propionic acid ethyl ester
Alternate Name(s)	3-Oxo-2-(phenylmethyl)-3-[(5-phenyl-4-pyrimidinyl)amino]propanoic acid ethyl ester Ethyl 2-benzyl-3-oxo-3-[(5-phenylpyrimidin-4-yl)amino]propanoate Ethyl 3-oxidanylidene-2-(phenylmethyl)-3-[(5-phenylpyrimidin-4-yl)amino]propanoate
CAS Registry Number	106537-91-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H21N3O3
InChI	InChI=1S/C22H21N3O3/c1-2-28-22(27)18(13-16-9-5-3-6-10-16)21(26)25-20-19(14-23-15-24-20)17-11-7-4-8-12-17/h3-12,14-15,18H,2,13H2,1H3,(H,23,24,25,26)
InChIKey	MJZDRKWBEOVCKJ-UHFFFAOYSA-N
Molecular Weight	375.428 g/mol
SMILES	N(C(C(C(=O)OCC)Cc1ccccc1)=O)c1c(-c2ccccc2)cncn1
SPLASH	splash10-056r-0419000000-0e0bf76a9aa032ce43cf
Source of Spectrum	Y-23-336-3
Wiley ID	1357258