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

Systemtic Name: phenacyl 3-[5-(4-butoxyphenyl)-1,2,3,4-tetrazol-2-yl]propanoate Openeye Name: phenacyl 3-[5-(4-butoxyphenyl)tetrazol-2-yl]propanoate CAS Name: 3-[5-(4-butoxyphenyl)-2-tetrazolyl]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[5-(4-butoxyphenyl)tetrazol-2-yl]propanoate Traditional Name: 3-[5-(4-butoxyphenyl)tetrazol-2-yl]propionic acid phenacyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(N=N2)CCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(N=N2)CCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4/c1-2-3-15-29-19-11-9-18(10-12-19)22-23-25-26(24-22)14-13-21(28)30-16-20(27)17-7-5-4-6-8-17/h4-12H,2-3,13-16H2,1H3