3-[cyano(phenyl)methyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[cyano(phenyl)methyl]-4-methoxy-benzoic acid Openeye Name: 3-[cyano(phenyl)methyl]-4-methoxy-benzoic acid CAS Name: 3-[cyano(phenyl)methyl]-4-methoxybenzoic acid IUPAC Name: 3-[cyano(phenyl)methyl]-4-methoxybenzoic acid Traditional Name: 3-[cyano(phenyl)methyl]-4-methoxy-benzoic acid Formula: C16H13NO3 MolecularWeight: 267.27932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)C(C#N)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)C(C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H13NO3/c1-20-15-8-7-12(16(18)19)9-13(15)14(10-17)11-5-3-2-4-6-11/h2-9,14H,1H3,(H,18,19)