4-[3-[6-[1-(4-Carboxyphenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid

SpectraBase Compound ID	4iMUXUL1gUC
InChI	InChI=1S/C33H29N5O4/c39-32(40)20-12-16-22(17-13-20)37-28-10-3-1-6-24(28)30(35-37)26-8-5-9-27(34-26)31-25-7-2-4-11-29(25)38(36-31)23-18-14-21(15-19-23)33(41)42/h5,8-9,12-19H,1-4,6-7,10-11H2,(H,39,40)(H,41,42)
InChIKey	OCPYOYRBIQFFBC-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	IA9F6IqzDjj
Name	4-[3-[6-[1-(4-Carboxyphenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	559.221954430 u
Formula	C33H29N5O4
InChI	InChI=1S/C33H29N5O4/c39-32(40)20-12-16-22(17-13-20)37-28-10-3-1-6-24(28)30(35-37)26-8-5-9-27(34-26)31-25-7-2-4-11-29(25)38(36-31)23-18-14-21(15-19-23)33(41)42/h5,8-9,12-19H,1-4,6-7,10-11H2,(H,39,40)(H,41,42)
InChIKey	OCPYOYRBIQFFBC-UHFFFAOYSA-N
Molecular Weight	559.626 g/mol
SMILES	C=12N(N=C(C1CCCC2)C1=NC(C2=NN(C3=CC=C(C(=O)O)C=C3)C3=C2CCCC3)=CC=C1)C=1C=CC(C(=O)O)=CC1