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

SpectraBase Compound ID	LsnvuQ8A7XO
InChI	InChI=1S/C30H34N2O4/c1-2-35-29(34)30(25-11-7-4-8-12-25)18-21-32(22-19-30)20-17-28(33)31-26-13-15-27(16-14-26)36-23-24-9-5-3-6-10-24/h3-16H,2,17-23H2,1H3,(H,31,33)
InChIKey	ZEZDQIYIZDLRBN-UHFFFAOYSA-N Google Search
Mol Weight	486.6 g/mol
Molecular Formula	C30H34N2O4
Exact Mass	486.251858 g/mol

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SpectraBase Spectrum ID	8Oqc5kkqHjs
Name	1-[3-(4-Benzoxyanilino)-3-keto-propyl]-4-phenyl-isonipecotic acid ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	486.251857579 u
Formula	C30H34N2O4
InChI	InChI=1S/C30H34N2O4/c1-2-35-29(34)30(25-11-7-4-8-12-25)18-21-32(22-19-30)20-17-28(33)31-26-13-15-27(16-14-26)36-23-24-9-5-3-6-10-24/h3-16H,2,17-23H2,1H3,(H,31,33)
InChIKey	ZEZDQIYIZDLRBN-UHFFFAOYSA-N
Molecular Weight	486.612 g/mol
SMILES	C1(C(=O)OCC)(CCN(CC1)CCC(NC=1C=CC(OCC=2C=CC=CC2)=CC1)=O)C1=CC=CC=C1