Carbamic acid, N-[1-(2-chloroethylaminocarbonyl)-2-(3-indolyl)ethyl]-, benzyl ester

SpectraBase Compound ID	BXFjuct8xMi
InChI	InChI=1S/C21H22ClN3O3/c22-10-11-23-20(26)19(12-16-13-24-18-9-5-4-8-17(16)18)25-21(27)28-14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,23,26)(H,25,27)
InChIKey	ZUQJYRMHWORXSY-UHFFFAOYSA-N Google Search
Mol Weight	399.88 g/mol
Molecular Formula	C21H22ClN3O3
Exact Mass	399.134969 g/mol

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SpectraBase Spectrum ID	2wYfV1xokZb
Name	Carbamic acid, N-[1-(2-chloroethylaminocarbonyl)-2-(3-indolyl)ethyl]-, benzyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	399.134969277 u
Formula	C21H22ClN3O3
InChI	InChI=1S/C21H22ClN3O3/c22-10-11-23-20(26)19(12-16-13-24-18-9-5-4-8-17(16)18)25-21(27)28-14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,23,26)(H,25,27)
InChIKey	ZUQJYRMHWORXSY-UHFFFAOYSA-N
Molecular Weight	399.878 g/mol
SMILES	C1(=CNC2=C1C=CC=C2)CC(NC(=O)OCC1=CC=CC=C1)C(=O)NCCCl