methyl 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)-5-methoxy-benzoate

Systemtic Name: methyl 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)-5-methoxy-benzoate Openeye Name: methyl 3-(1-cyano-2-oxo-3-phenyl-propyl)-5-methoxy-benzoate CAS Name: 3-(1-cyano-2-oxo-3-phenylpropyl)-5-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-(1-cyano-2-oxo-3-phenylpropyl)-5-methoxybenzoate Traditional Name: 3-(1-cyano-2-keto-3-phenyl-propyl)-5-methoxy-benzoic acid methyl ester Formula: C19H17NO4 MolecularWeight: 323.34258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO4/c1-23-16-10-14(9-15(11-16)19(22)24-2)17(12-20)18(21)8-13-6-4-3-5-7-13/h3-7,9-11,17H,8H2,1-2H3