2-cyano-4-methoxy-3-(phenylmethyl)benzoic acid

Systemtic Name: 2-cyano-4-methoxy-3-(phenylmethyl)benzoic acid Openeye Name: 3-benzyl-2-cyano-4-methoxy-benzoic acid CAS Name: 2-cyano-4-methoxy-3-(phenylmethyl)benzoic acid IUPAC Name: 3-benzyl-2-cyano-4-methoxybenzoic acid Traditional Name: 3-benzyl-2-cyano-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#N)CC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)O)C#N)CC2=CC=CC=C2

InChI

InChI=1S/C16H13NO3/c1-20-15-8-7-12(16(18)19)14(10-17)13(15)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19)