methyl 2-[5-(4-butylphenyl)-1,2,3,4-tetrazol-1-yl]ethanoate

Systemtic Name: methyl 2-[5-(4-butylphenyl)-1,2,3,4-tetrazol-1-yl]ethanoate Openeye Name: methyl 2-[5-(4-butylphenyl)tetrazol-1-yl]acetate CAS Name: 2-[5-(4-butylphenyl)-1-tetrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-butylphenyl)tetrazol-1-yl]acetate Traditional Name: 2-[5-(4-butylphenyl)tetrazol-1-yl]acetic acid methyl ester Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NN=NN2CC(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NN=NN2CC(=O)OC

InChI

InChI=1S/C14H18N4O2/c1-3-4-5-11-6-8-12(9-7-11)14-15-16-17-18(14)10-13(19)20-2/h6-9H,3-5,10H2,1-2H3