1-[2-(3-bromoanilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester

SpectraBase Compound ID	8EkBInPGFlH
InChI	InChI=1S/C22H25BrN2O3/c1-2-28-21(27)22(17-7-4-3-5-8-17)11-13-25(14-12-22)16-20(26)24-19-10-6-9-18(23)15-19/h3-10,15H,2,11-14,16H2,1H3,(H,24,26)
InChIKey	YTYVSHWYSFDXTP-UHFFFAOYSA-N Google Search
Mol Weight	445.36 g/mol
Molecular Formula	C22H25BrN2O3
Exact Mass	444.104856 g/mol

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SpectraBase Spectrum ID	KRLcNIUH1Cn
Name	1-[2-(3-bromoanilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester
Alternate Name(s)	1-[2-(3-bromoanilino)-2-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[2-(3-bromoanilino)-2-oxo-ethyl]-4-phenyl-piperidine-4-carboxylate Ethyl 1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidine-4-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H25BrN2O3
InChI	InChI=1S/C22H25BrN2O3/c1-2-28-21(27)22(17-7-4-3-5-8-17)11-13-25(14-12-22)16-20(26)24-19-10-6-9-18(23)15-19/h3-10,15H,2,11-14,16H2,1H3,(H,24,26)
InChIKey	YTYVSHWYSFDXTP-UHFFFAOYSA-N
Molecular Weight	445.357 g/mol
SMILES	N(C(CN1CCC(C(=O)OCC)(CC1)c1ccccc1)=O)c1cc(Br)ccc1
SPLASH	splash10-0005-9360000000-22e7f9c214ba29012d0e
Wiley ID	1464024