2-(3-cyanopropoxy)-5-methoxy-benzoic acid

Systemtic Name: 2-(3-cyanopropoxy)-5-methoxy-benzoic acid Openeye Name: 2-(3-cyanopropoxy)-5-methoxy-benzoic acid CAS Name: 2-(3-cyanopropoxy)-5-methoxybenzoic acid IUPAC Name: 2-(3-cyanopropoxy)-5-methoxybenzoic acid Traditional Name: 2-(3-cyanopropoxy)-5-methoxy-benzoic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCCCC#N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OCCCC#N)C(=O)O

InChI

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