phenacyl 3-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]propanoate

Systemtic Name: phenacyl 3-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]propanoate Openeye Name: phenacyl 3-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]propanoate CAS Name: 3-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]propanoate Traditional Name: 3-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]propionic acid phenacyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(N=N2)CCC(=O)OCC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(N=N2)CCC(=O)OCC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H20N4O5/c1-27-17-9-8-15(12-18(17)28-2)20-21-23-24(22-20)11-10-19(26)29-13-16(25)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3