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

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

Click to see the large picture

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)