2-cyano-4,5-dimethoxy-3-(phenylmethyl)benzoic acid

Systemtic Name: 2-cyano-4,5-dimethoxy-3-(phenylmethyl)benzoic acid Openeye Name: 3-benzyl-2-cyano-4,5-dimethoxy-benzoic acid CAS Name: 2-cyano-4,5-dimethoxy-3-(phenylmethyl)benzoic acid IUPAC Name: 3-benzyl-2-cyano-4,5-dimethoxybenzoic acid Traditional Name: 3-benzyl-2-cyano-4,5-dimethoxy-benzoic acid Formula: C17H15NO4 MolecularWeight: 297.3053

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO4/c1-21-15-9-13(17(19)20)14(10-18)12(16(15)22-2)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,19,20)