3-[cyano-(2-methoxyphenyl)methyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[cyano-(2-methoxyphenyl)methyl]-4-methoxy-benzoic acid Openeye Name: 3-[cyano-(2-methoxyphenyl)methyl]-4-methoxy-benzoic acid CAS Name: 3-[cyano-(2-methoxyphenyl)methyl]-4-methoxybenzoic acid IUPAC Name: 3-[cyano-(2-methoxyphenyl)methyl]-4-methoxybenzoic acid Traditional Name: 3-[cyano-(2-methoxyphenyl)methyl]-4-methoxy-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(C#N)C2=CC=CC=C2OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)C(C#N)C2=CC=CC=C2OC

InChI

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