2-[(1R)-3-oxidanylidene-3-phenyl-1-(3,4,5-trimethoxyphenyl)propyl]propanedinitrile

Systemtic Name: 2-[(1R)-3-oxidanylidene-3-phenyl-1-(3,4,5-trimethoxyphenyl)propyl]propanedinitrile Openeye Name: 2-[(1R)-3-oxo-3-phenyl-1-(3,4,5-trimethoxyphenyl)propyl]propanedinitrile CAS Name: 2-[(1R)-3-oxo-3-phenyl-1-(3,4,5-trimethoxyphenyl)propyl]propanedinitrile IUPAC Name: 2-[(1R)-3-oxo-3-phenyl-1-(3,4,5-trimethoxyphenyl)propyl]propanedinitrile Traditional Name: 2-[(1R)-3-keto-3-phenyl-1-(3,4,5-trimethoxyphenyl)propyl]malononitrile Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(CC(=O)C2=CC=CC=C2)C(C#N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H](CC(=O)C2=CC=CC=C2)C(C#N)C#N

InChI

InChI=1S/C21H20N2O4/c1-25-19-9-15(10-20(26-2)21(19)27-3)17(16(12-22)13-23)11-18(24)14-7-5-4-6-8-14/h4-10,16-17H,11H2,1-3H3/t17-/m0/s1