[4-(1,2,3,4-tetrazol-1-yl)phenyl] 2-(phenylmethyl)benzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 2-(phenylmethyl)benzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)OC3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)OC3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C21H16N4O2/c26-21(27-19-12-10-18(11-13-19)25-15-22-23-24-25)20-9-5-4-8-17(20)14-16-6-2-1-3-7-16/h1-13,15H,14H2