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

Systemtic Name: 2-(3-cyanopropoxy)-3-ethoxy-benzoic acid Openeye Name: 2-(3-cyanopropoxy)-3-ethoxy-benzoic acid CAS Name: 2-(3-cyanopropoxy)-3-ethoxybenzoic acid IUPAC Name: 2-(3-cyanopropoxy)-3-ethoxybenzoic acid Traditional Name: 2-(3-cyanopropoxy)-3-ethoxy-benzoic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCCCC#N)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1OCCCC#N)C(=O)O

InChI

InChI=1S/C13H15NO4/c1-2-17-11-7-5-6-10(13(15)16)12(11)18-9-4-3-8-14/h5-7H,2-4,9H2,1H3,(H,15,16)