4-[(E)-1-cyano-2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-1-cyano-2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]benzoic acid Openeye Name: 4-[(E)-1-cyano-2-(3-methoxy-4-prop-2-ynoxy-phenyl)vinyl]benzoic acid CAS Name: 4-[(E)-1-cyano-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-1-cyano-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]benzoic acid Traditional Name: 4-[(E)-1-cyano-2-(3-methoxy-4-propargyloxy-phenyl)vinyl]benzoic acid Formula: C20H15NO4 MolecularWeight: 333.3374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)C(=O)O)OCC#C

InChI

InChI=1S/C20H15NO4/c1-3-10-25-18-9-4-14(12-19(18)24-2)11-17(13-21)15-5-7-16(8-6-15)20(22)23/h1,4-9,11-12H,10H2,2H3,(H,22,23)/b17-11-