methyl 4-[[5-(4-ethylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzoate

Systemtic Name: methyl 4-[[5-(4-ethylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzoate Openeye Name: methyl 4-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]benzoate CAS Name: 4-[[5-(4-ethylphenyl)-2-tetrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]benzoate Traditional Name: 4-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]benzoic acid methyl ester Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O2/c1-3-13-4-8-15(9-5-13)17-19-21-22(20-17)12-14-6-10-16(11-7-14)18(23)24-2/h4-11H,3,12H2,1-2H3