4-[[4-(cyanomethyl)phenoxy]methyl]benzoate

Systemtic Name: 4-[[4-(cyanomethyl)phenoxy]methyl]benzoate Openeye Name: 4-[[4-(cyanomethyl)phenoxy]methyl]benzoate CAS Name: 4-[[4-(cyanomethyl)phenoxy]methyl]benzoate IUPAC Name: 4-[[4-(cyanomethyl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-(cyanomethyl)phenoxy]methyl]benzoate Formula: C16H12NO3- MolecularWeight: 266.27138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)OCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC#N)OCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H13NO3/c17-10-9-12-3-7-15(8-4-12)20-11-13-1-5-14(6-2-13)16(18)19/h1-8H,9,11H2,(H,18,19)/p-1