2-cyano-4-pentoxy-benzoic acid

Systemtic Name: 2-cyano-4-pentoxy-benzoic acid Openeye Name: 2-cyano-4-pentoxy-benzoic acid CAS Name: 2-cyano-4-pentoxybenzoic acid IUPAC Name: 2-cyano-4-pentoxybenzoic acid Traditional Name: 4-amoxy-2-cyano-benzoic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)C(=O)O)C#N

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)C(=O)O)C#N

InChI

InChI=1S/C13H15NO3/c1-2-3-4-7-17-11-5-6-12(13(15)16)10(8-11)9-14/h5-6,8H,2-4,7H2,1H3,(H,15,16)