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3-[[2-[5-(2-chlorophenyl)-2-tetrazolyl]-1-oxoethyl]amino]-3-(4-methoxyphenyl)propanoic acid ethyl ester
SpectraBase Compound ID 3QsR8JOpBF9
InChI InChI=1S/C21H22ClN5O4/c1-3-31-20(29)12-18(14-8-10-15(30-2)11-9-14)23-19(28)13-27-25-21(24-26-27)16-6-4-5-7-17(16)22/h4-11,18H,3,12-13H2,1-2H3,(H,23,28)
InChIKey SVGYKBQUAYXOFU-UHFFFAOYSA-N
Mol Weight 443.89 g/mol
Molecular Formula C21H22ClN5O4
Exact Mass 443.136032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SMrKwjTjjV
Name 3-[[2-[5-(2-chlorophenyl)-2-tetrazolyl]-1-oxoethyl]amino]-3-(4-methoxyphenyl)propanoic acid ethyl ester
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Formula C21H22ClN5O4
InChI InChI=1S/C21H22ClN5O4/c1-3-31-20(29)12-18(14-8-10-15(30-2)11-9-14)23-19(28)13-27-25-21(24-26-27)16-6-4-5-7-17(16)22/h4-11,18H,3,12-13H2,1-2H3,(H,23,28)
InChIKey SVGYKBQUAYXOFU-UHFFFAOYSA-N
Molecular Weight 443.891 g/mol
SMILES N(C(=O)C[n]1nnc(n1)-c1c(cccc1)Cl)C(CC(OCC)=O)c1ccc(cc1)OC
SPLASH splash10-00li-2920000000-20cc43f9946cce901ee0
Synonyms 3-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]amino]-3-(4-methoxyphenyl)propionic acid ethyl ester Ethyl 3-[2-[5-(2-chlorophenyl)-1,2,3,4-tetrazol-2-yl]ethanoylamino]-3-(4-methoxyphenyl)propanoate Ethyl 3-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate
Wiley ID 1512393