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3,4,5-trimethoxy-N-[3-(5-{3-[(3,4,5-trimethoxybenzoyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SpectraBase Compound ID A5rCfQdSbdZ
InChI InChI=1S/C34H32N4O9/c1-41-25-15-21(16-26(42-2)29(25)45-5)31(39)35-23-11-7-9-19(13-23)33-37-38-34(47-33)20-10-8-12-24(14-20)36-32(40)22-17-27(43-3)30(46-6)28(18-22)44-4/h7-18H,1-6H3,(H,35,39)(H,36,40)
InChIKey YUNCJUYDEWGKPZ-UHFFFAOYSA-N
Mol Weight 640.6 g/mol
Molecular Formula C34H32N4O9
Exact Mass 640.216929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CNBb5CAywG1
Name 3,4,5-Trimethoxy-N-[3-(5-{3-[(3,4,5-trimethoxybenzoyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)phenyl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 640.216928617 u
Formula C34H32N4O9
InChI InChI=1S/C34H32N4O9/c1-41-25-15-21(16-26(42-2)29(25)45-5)31(39)35-23-11-7-9-19(13-23)33-37-38-34(47-33)20-10-8-12-24(14-20)36-32(40)22-17-27(43-3)30(46-6)28(18-22)44-4/h7-18H,1-6H3,(H,35,39)(H,36,40)
InChIKey YUNCJUYDEWGKPZ-UHFFFAOYSA-N
SMILES N(C(C1=CC(=C(OC)C(=C1)OC)OC)=O)C=1C=C(C2=NN=C(C=3C=C(NC(C=4C=C(OC)C(=C(C4)OC)OC)=O)C=CC3)O2)C=CC1