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

Systemtic Name: phenacyl 3-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]propanoate Openeye Name: phenacyl 3-[5-(4-isopropylphenyl)tetrazol-2-yl]propanoate CAS Name: 3-[5-(4-propan-2-ylphenyl)-2-tetrazolyl]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate Traditional Name: 3-(5-p-cumenyltetrazol-2-yl)propionic acid phenacyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-15(2)16-8-10-18(11-9-16)21-22-24-25(23-21)13-12-20(27)28-14-19(26)17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3