2,3-bis(3,4,5-trimethoxyphenyl)propanenitrile

Systemtic Name: 2,3-bis(3,4,5-trimethoxyphenyl)propanenitrile Openeye Name: 2,3-bis(3,4,5-trimethoxyphenyl)propanenitrile CAS Name: 2,3-bis(3,4,5-trimethoxyphenyl)propanenitrile IUPAC Name: 2,3-bis(3,4,5-trimethoxyphenyl)propanenitrile Traditional Name: 2,3-bis(3,4,5-trimethoxyphenyl)propionitrile Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-23-16-8-13(9-17(24-2)20(16)27-5)7-15(12-22)14-10-18(25-3)21(28-6)19(11-14)26-4/h8-11,15H,7H2,1-6H3