3-[4-(cyanomethyl)phenoxy]butanoic acid

Systemtic Name: 3-[4-(cyanomethyl)phenoxy]butanoic acid Openeye Name: 3-[4-(cyanomethyl)phenoxy]butanoic acid CAS Name: 3-[4-(cyanomethyl)phenoxy]butanoic acid IUPAC Name: 3-[4-(cyanomethyl)phenoxy]butanoic acid Traditional Name: 3-[4-(cyanomethyl)phenoxy]butyric acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)OC1=CC=C(C=C1)CC#N

Isomeric SMILES

CC(CC(=O)O)OC1=CC=C(C=C1)CC#N

InChI

InChI=1S/C12H13NO3/c1-9(8-12(14)15)16-11-4-2-10(3-5-11)6-7-13/h2-5,9H,6,8H2,1H3,(H,14,15)