acetic acid, [[2-[[[2-(5-chloro-1H-indol-3-yl)ethyl]amino]carbonyl]phenyl]amino]oxo-, ethyl ester

SpectraBase Compound ID	661Zgzgnh38
InChI	InChI=1S/C21H20ClN3O4/c1-2-29-21(28)20(27)25-18-6-4-3-5-15(18)19(26)23-10-9-13-12-24-17-8-7-14(22)11-16(13)17/h3-8,11-12,24H,2,9-10H2,1H3,(H,23,26)(H,25,27)
InChIKey	KRDORTZZFPUGNU-UHFFFAOYSA-N Google Search
Mol Weight	413.86 g/mol
Molecular Formula	C21H20ClN3O4
Exact Mass	413.114234 g/mol

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SpectraBase Spectrum ID	FXUkzWc7IU0
Name	acetic acid, [[2-[[[2-(5-chloro-1H-indol-3-yl)ethyl]amino]carbonyl]phenyl]amino]oxo-, ethyl ester
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C21H20ClN3O4/c1-2-29-21(28)20(27)25-18-6-4-3-5-15(18)19(26)23-10-9-13-12-24-17-8-7-14(22)11-16(13)17/h3-8,11-12,24H,2,9-10H2,1H3,(H,23,26)(H,25,27)
InChIKey	KRDORTZZFPUGNU-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_5861
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: F26394; Labnumber: NNA-V-28501