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methyl 4-{[3-(1H-benzimidazol-2-yl)-4-hydroxyanilino]carbonyl}benzoate

View entire compound with spectra: 2 NMR

methyl 4-{[3-(1H-benzimidazol-2-yl)-4-hydroxyanilino]carbonyl}benzoate
SpectraBase Compound ID APS8yabOVaO
InChI InChI=1S/C22H17N3O4/c1-29-22(28)14-8-6-13(7-9-14)21(27)23-15-10-11-19(26)16(12-15)20-24-17-4-2-3-5-18(17)25-20/h2-12,26H,1H3,(H,23,27)(H,24,25)
InChIKey SEQLYKMAZDBBRQ-UHFFFAOYSA-N
Mol Weight 387.4 g/mol
Molecular Formula C22H17N3O4
Exact Mass 387.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DpvTSjh2ApG
Name Methyl 4-{[3-(1H-benzimidazol-2-yl)-4-hydroxyanilino]carbonyl}benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.121906035 u
Formula C22H17N3O4
InChI InChI=1S/C22H17N3O4/c1-29-22(28)14-8-6-13(7-9-14)21(27)23-15-10-11-19(26)16(12-15)20-24-17-4-2-3-5-18(17)25-20/h2-12,26H,1H3,(H,23,27)(H,24,25)
InChIKey SEQLYKMAZDBBRQ-UHFFFAOYSA-N
Molecular Weight 387.395 g/mol
SMILES N1C=2C=CC=CC2N=C1C1=C(C=CC(=C1)NC(C1=CC=C(C(=O)OC)C=C1)=O)O