(2,5-dimethoxyphenyl) 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzoate

Systemtic Name: (2,5-dimethoxyphenyl) 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzoate Openeye Name: (2,5-dimethoxyphenyl) 3-(1-cyano-2-oxo-3-phenyl-propyl)benzoate CAS Name: 3-(1-cyano-2-oxo-3-phenylpropyl)benzoic acid (2,5-dimethoxyphenyl) ester IUPAC Name: (2,5-dimethoxyphenyl) 3-(1-cyano-2-oxo-3-phenylpropyl)benzoate Traditional Name: 3-(1-cyano-2-keto-3-phenyl-propyl)benzoic acid (2,5-dimethoxyphenyl) ester Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)OC(=O)C2=CC(=CC=C2)C(C#N)C(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)OC(=O)C2=CC(=CC=C2)C(C#N)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H21NO5/c1-29-20-11-12-23(30-2)24(15-20)31-25(28)19-10-6-9-18(14-19)21(16-26)22(27)13-17-7-4-3-5-8-17/h3-12,14-15,21H,13H2,1-2H3