4-[3-[6-[2-(4-carboxyphenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-2-yl]benzoic acid

SpectraBase Compound ID	4xqvOHyE5R0
InChI	InChI=1S/C33H29N5O4/c39-32(40)20-12-16-22(17-13-20)37-30(24-6-1-3-8-26(24)35-37)28-10-5-11-29(34-28)31-25-7-2-4-9-27(25)36-38(31)23-18-14-21(15-19-23)33(41)42/h5,10-19H,1-4,6-9H2,(H,39,40)(H,41,42)
InChIKey	OKQFHXBAIBHJSB-UHFFFAOYSA-N Google Search
Mol Weight	559.6 g/mol
Molecular Formula	C33H29N5O4
Exact Mass	559.221954 g/mol

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SpectraBase Spectrum ID	LQkQd93Pfg0
Name	4-[3-[6-[2-(4-carboxyphenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-2-yl]benzoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H29N5O4
InChI	InChI=1S/C33H29N5O4/c39-32(40)20-12-16-22(17-13-20)37-30(24-6-1-3-8-26(24)35-37)28-10-5-11-29(34-28)31-25-7-2-4-9-27(25)36-38(31)23-18-14-21(15-19-23)33(41)42/h5,10-19H,1-4,6-9H2,(H,39,40)(H,41,42)
InChIKey	OKQFHXBAIBHJSB-UHFFFAOYSA-N
Molecular Weight	559.626 g/mol
SMILES	OC(c1ccc(-[n]2c(-c3nc(-c4[n](-c5ccc(C(=O)O)cc5)nc5CCCCc45)ccc3)c3c(n2)CCCC3)cc1)=O
SPLASH	splash10-000b-9100000000-a70366e895a3d3ceb4d0
Source of Spectrum	J-59-1770-9
Synonyms	4-[3-[6-[2-(4-carboxyphenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridyl]-4,5,6,7-tetrahydroindazol-2-yl]benzoic acid 4-[3-[6-[2-(4-carboxyphenyl)-4,5,6,7-tetrahydroindazol-3-yl]pyridin-2-yl]-4,5,6,7-tetrahydroindazol-2-yl]benzoic acid
Wiley ID	1406666