ethyl 2-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]butanoate

Systemtic Name: ethyl 2-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]butanoate Openeye Name: ethyl 2-[5-(4-isopropylphenyl)tetrazol-2-yl]butanoate CAS Name: 2-[5-(4-propan-2-ylphenyl)-2-tetrazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]butanoate Traditional Name: 2-(5-p-cumenyltetrazol-2-yl)butyric acid ethyl ester Formula: C16H22N4O2 MolecularWeight: 302.37148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1N=C(N=N1)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCC(C(=O)OCC)N1N=C(N=N1)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C16H22N4O2/c1-5-14(16(21)22-6-2)20-18-15(17-19-20)13-9-7-12(8-10-13)11(3)4/h7-11,14H,5-6H2,1-4H3