2-(3-cyanopropoxy)-3-methoxy-benzoic acid

Systemtic Name: 2-(3-cyanopropoxy)-3-methoxy-benzoic acid Openeye Name: 2-(3-cyanopropoxy)-3-methoxy-benzoic acid CAS Name: 2-(3-cyanopropoxy)-3-methoxybenzoic acid IUPAC Name: 2-(3-cyanopropoxy)-3-methoxybenzoic acid Traditional Name: 2-(3-cyanopropoxy)-3-methoxy-benzoic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCCCC#N)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCCCC#N)C(=O)O

InChI

InChI=1S/C12H13NO4/c1-16-10-6-4-5-9(12(14)15)11(10)17-8-3-2-7-13/h4-6H,2-3,8H2,1H3,(H,14,15)