2-[2-[(3,4-dimethoxyphenyl)-oxidanyl-methyl]-3,4-dimethoxy-phenyl]ethanenitrile

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)-oxidanyl-methyl]-3,4-dimethoxy-phenyl]ethanenitrile Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)-hydroxy-methyl]-3,4-dimethoxy-phenyl]acetonitrile CAS Name: 2-[2-[(3,4-dimethoxyphenyl)-hydroxymethyl]-3,4-dimethoxyphenyl]acetonitrile IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)-hydroxymethyl]-3,4-dimethoxyphenyl]acetonitrile Traditional Name: 2-[2-[(3,4-dimethoxyphenyl)-hydroxy-methyl]-3,4-dimethoxy-phenyl]acetonitrile Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=C(C=CC(=C2OC)OC)CC#N)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=C(C=CC(=C2OC)OC)CC#N)O)OC

InChI

InChI=1S/C19H21NO5/c1-22-14-7-6-13(11-16(14)24-3)18(21)17-12(9-10-20)5-8-15(23-2)19(17)25-4/h5-8,11,18,21H,9H2,1-4H3