4-{[(2-methoxy-4-{(Z)-[3-methyl-1-(3-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetyl]amino}benzoic acid

SpectraBase Compound ID	FVvCCwUuRyp
InChI	InChI=1S/C28H25N3O6/c1-17-5-4-6-22(13-17)31-27(33)23(18(2)30-31)14-19-7-12-24(25(15-19)36-3)37-16-26(32)29-21-10-8-20(9-11-21)28(34)35/h4-15H,16H2,1-3H3,(H,29,32)(H,34,35)/b23-14-
InChIKey	CGXWVEYEXRMGON-UCQKPKSFSA-N Google Search
Mol Weight	499.52 g/mol
Molecular Formula	C28H25N3O6
Exact Mass	499.174336 g/mol

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SpectraBase Spectrum ID	Hd6ygrgNqF8
Name	4-{[(2-methoxy-4-{(Z)-[3-methyl-1-(3-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetyl]amino}benzoic acid
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/C28H25N3O6/c1-17-5-4-6-22(13-17)31-27(33)23(18(2)30-31)14-19-7-12-24(25(15-19)36-3)37-16-26(32)29-21-10-8-20(9-11-21)28(34)35/h4-15H,16H2,1-3H3,(H,29,32)(H,34,35)/b23-14-
InChIKey	CGXWVEYEXRMGON-UCQKPKSFSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_6719
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: UZI/8186545; UBI_ID: UBI-006721
Synonyms	4-{[(2-methoxy-4-{[3-methyl-1-(3-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetyl]amino}benzoic acid
Temperature	313 °C