2-(Dibenzylamino)acetic acid 4-[benzyl(chlorocarbonyl)amino]butyl ester

SpectraBase Compound ID	K91MRhSKZPC
InChI	InChI=1S/C28H31ClN2O3/c29-28(33)31(22-26-16-8-3-9-17-26)18-10-11-19-34-27(32)23-30(20-24-12-4-1-5-13-24)21-25-14-6-2-7-15-25/h1-9,12-17H,10-11,18-23H2
InChIKey	IJHWSBQXUUPVNB-UHFFFAOYSA-N Google Search
Mol Weight	479.02 g/mol
Molecular Formula	C28H31ClN2O3
Exact Mass	478.202321 g/mol

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SpectraBase Spectrum ID	E5UKJEHiQ2z
Name	2-(Dibenzylamino)acetic acid 4-[benzyl(chlorocarbonyl)amino]butyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	478.202320563 u
Formula	C28H31ClN2O3
InChI	InChI=1S/C28H31ClN2O3/c29-28(33)31(22-26-16-8-3-9-17-26)18-10-11-19-34-27(32)23-30(20-24-12-4-1-5-13-24)21-25-14-6-2-7-15-25/h1-9,12-17H,10-11,18-23H2
InChIKey	IJHWSBQXUUPVNB-UHFFFAOYSA-N
Molecular Weight	479.020 g/mol
SMILES	C(N(CC=1C=CC=CC1)CCCCOC(CN(CC=1C=CC=CC1)CC=1C=CC=CC1)=O)(=O)Cl