phenacyl 3-[5-(4-ethoxy-3-methoxy-phenyl)-1,2,3,4-tetrazol-2-yl]propanoate

Systemtic Name: phenacyl 3-[5-(4-ethoxy-3-methoxy-phenyl)-1,2,3,4-tetrazol-2-yl]propanoate Openeye Name: phenacyl 3-[5-(4-ethoxy-3-methoxy-phenyl)tetrazol-2-yl]propanoate CAS Name: 3-[5-(4-ethoxy-3-methoxyphenyl)-2-tetrazolyl]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoate Traditional Name: 3-[5-(4-ethoxy-3-methoxy-phenyl)tetrazol-2-yl]propionic acid phenacyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(N=N2)CCC(=O)OCC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(N=N2)CCC(=O)OCC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N4O5/c1-3-29-18-10-9-16(13-19(18)28-2)21-22-24-25(23-21)12-11-20(27)30-14-17(26)15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3