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Benzoic acid, 4-[[2-[4-[(1-oxopropyl)amino]-1,2,5-oxadiazol-3-yl]-1H-1,3-benzimidazol-1-yl]methyl]-, methyl ester
SpectraBase Compound ID HMHx9vdYtLi
InChI InChI=1S/C21H19N5O4/c1-3-17(27)23-19-18(24-30-25-19)20-22-15-6-4-5-7-16(15)26(20)12-13-8-10-14(11-9-13)21(28)29-2/h4-11H,3,12H2,1-2H3,(H,23,25,27)
InChIKey ZSGMOJDYDOAVQI-UHFFFAOYSA-N
Mol Weight 405.41 g/mol
Molecular Formula C21H19N5O4
Exact Mass 405.143704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ftH89sf7Jj
Name Benzoic acid, 4-[[2-[4-[(1-oxopropyl)amino]-1,2,5-oxadiazol-3-yl]-1H-1,3-benzimidazol-1-yl]methyl]-, methyl ester
Alternate Name(s) Methyl 4-{[2-(4-propanamido-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzoate 4-[[2-[4-(1-oxopropylamino)-1,2,5-oxadiazol-3-yl]-1-benzimidazolyl]methyl]benzoic acid methyl ester Methyl 4-[[2-[4-(propanoylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]methyl]benzoate
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Formula C21H19N5O4
InChI InChI=1S/C21H19N5O4/c1-3-17(27)23-19-18(24-30-25-19)20-22-15-6-4-5-7-16(15)26(20)12-13-8-10-14(11-9-13)21(28)29-2/h4-11H,3,12H2,1-2H3,(H,23,25,27)
InChIKey ZSGMOJDYDOAVQI-UHFFFAOYSA-N
Molecular Weight 405.414 g/mol
SMILES N(c1c(non1)-c1[n](Cc2ccc(cc2)C(=O)OC)c2ccccc2n1)C(CC)=O
SPLASH splash10-002b-3914000000-41629eab338cfda1c59c
Source of Spectrum IY-2-5029-6
Wiley ID 1658279