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

SpectraBase Compound ID	I6wvDVfUaQE
InChI	InChI=1S/C23H27BrN2O3/c1-2-29-22(28)23(18-7-4-3-5-8-18)12-15-26(16-13-23)14-11-21(27)25-20-10-6-9-19(24)17-20/h3-10,17H,2,11-16H2,1H3,(H,25,27)
InChIKey	SKNIMWACWJQXID-UHFFFAOYSA-N Google Search
Mol Weight	459.38 g/mol
Molecular Formula	C23H27BrN2O3
Exact Mass	458.120506 g/mol

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SpectraBase Spectrum ID	G1J54Q0aDly
Name	1-[3-(3-bromoanilino)-3-keto-propyl]-4-phenyl-isonipecotic acid ethyl ester
Alternate Name(s)	1-[3-(3-bromoanilino)-3-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[3-(3-bromoanilino)-3-oxo-propyl]-4-phenyl-piperidine-4-carboxylate Ethyl 1-[3-[(3-bromophenyl)amino]-3-oxidanylidene-propyl]-4-phenyl-piperidine-4-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H27BrN2O3
InChI	InChI=1S/C23H27BrN2O3/c1-2-29-22(28)23(18-7-4-3-5-8-18)12-15-26(16-13-23)14-11-21(27)25-20-10-6-9-19(24)17-20/h3-10,17H,2,11-16H2,1H3,(H,25,27)
InChIKey	SKNIMWACWJQXID-UHFFFAOYSA-N
Molecular Weight	459.384 g/mol
SMILES	N(C(CCN1CCC(C(=O)OCC)(CC1)c1ccccc1)=O)c1cc(Br)ccc1
SPLASH	splash10-052p-9330000000-db50ccbd1888e36327e9
Wiley ID	1458669