3-phenylpropyl 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 3-phenylpropyl 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 3-phenylpropyl 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid 3-phenylpropyl ester Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)C2=CC(=CC=C2)N3C=NN=N3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)C2=CC(=CC=C2)N3C=NN=N3

InChI

InChI=1S/C17H16N4O2/c22-17(23-11-5-8-14-6-2-1-3-7-14)15-9-4-10-16(12-15)21-13-18-19-20-21/h1-4,6-7,9-10,12-13H,5,8,11H2