3-[[4-(cyanomethyl)phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-(cyanomethyl)phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-(cyanomethyl)phenoxy]methyl]benzoic acid CAS Name: 3-[[4-(cyanomethyl)phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-(cyanomethyl)phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-(cyanomethyl)phenoxy]methyl]benzoic acid Formula: C16H13NO3 MolecularWeight: 267.27932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)CC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)CC#N)C(=O)O

InChI

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