3-[cyano(phenyl)methyl]-4,5-dimethoxy-benzoic acid

Systemtic Name: 3-[cyano(phenyl)methyl]-4,5-dimethoxy-benzoic acid Openeye Name: 3-[cyano(phenyl)methyl]-4,5-dimethoxy-benzoic acid CAS Name: 3-[cyano(phenyl)methyl]-4,5-dimethoxybenzoic acid IUPAC Name: 3-[cyano(phenyl)methyl]-4,5-dimethoxybenzoic acid Traditional Name: 3-[cyano(phenyl)methyl]-4,5-dimethoxy-benzoic acid Formula: C17H15NO4 MolecularWeight: 297.3053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)C(C#N)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)C(C#N)C2=CC=CC=C2)C(=O)O

InChI

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