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

Systemtic Name: phenacyl 3-[5-(4-ethylphenyl)-1,2,3,4-tetrazol-2-yl]propanoate Openeye Name: phenacyl 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate CAS Name: 3-[5-(4-ethylphenyl)-2-tetrazolyl]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate Traditional Name: 3-[5-(4-ethylphenyl)tetrazol-2-yl]propionic acid phenacyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(N=N2)CCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(N=N2)CCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3/c1-2-15-8-10-17(11-9-15)20-21-23-24(22-20)13-12-19(26)27-14-18(25)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3