2-(cyanomethyl)-3-[(Z)-1-methoxy-3-oxidanylidene-3-phenylmethoxy-prop-1-en-2-yl]benzoic acid

Systemtic Name: 2-(cyanomethyl)-3-[(Z)-1-methoxy-3-oxidanylidene-3-phenylmethoxy-prop-1-en-2-yl]benzoic acid Openeye Name: 3-[(Z)-1-benzyloxycarbonyl-2-methoxy-vinyl]-2-(cyanomethyl)benzoic acid CAS Name: 2-(cyanomethyl)-3-[(Z)-1-methoxy-3-oxo-3-phenylmethoxyprop-1-en-2-yl]benzoic acid IUPAC Name: 2-(cyanomethyl)-3-[(Z)-1-methoxy-3-oxo-3-phenylmethoxyprop-1-en-2-yl]benzoic acid Traditional Name: 3-[(Z)-1-carbobenzoxy-2-methoxy-vinyl]-2-(cyanomethyl)benzoic acid Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

COC=C(C1=C(C(=CC=C1)C(=O)O)CC#N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CO/C=C(/C1=C(C(=CC=C1)C(=O)O)CC#N)\C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H17NO5/c1-25-13-18(20(24)26-12-14-6-3-2-4-7-14)15-8-5-9-17(19(22)23)16(15)10-11-21/h2-9,13H,10,12H2,1H3,(H,22,23)/b18-13-