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

Systemtic Name: phenacyl 2-[5-(4-butoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: phenacyl 2-[5-(4-butoxyphenyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(4-butoxyphenyl)-2-tetrazolyl]acetic acid phenacyl ester IUPAC Name: phenacyl 2-[5-(4-butoxyphenyl)tetrazol-2-yl]acetate Traditional Name: 2-[5-(4-butoxyphenyl)tetrazol-2-yl]acetic acid phenacyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-2-3-13-28-18-11-9-17(10-12-18)21-22-24-25(23-21)14-20(27)29-15-19(26)16-7-5-4-6-8-16/h4-12H,2-3,13-15H2,1H3