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

Systemtic Name: methyl 3-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]propanoate Openeye Name: methyl 3-[5-(4-isopropylphenyl)tetrazol-2-yl]propanoate CAS Name: 3-[5-(4-propan-2-ylphenyl)-2-tetrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate Traditional Name: 3-(5-p-cumenyltetrazol-2-yl)propionic acid methyl ester Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2/c1-10(2)11-4-6-12(7-5-11)14-15-17-18(16-14)9-8-13(19)20-3/h4-7,10H,8-9H2,1-3H3