2-[1-(3,4-dimethoxyphenoxy)-4-oxidanyl-butyl]benzenecarbonitrile

Systemtic Name: 2-[1-(3,4-dimethoxyphenoxy)-4-oxidanyl-butyl]benzenecarbonitrile Openeye Name: 2-[1-(3,4-dimethoxyphenoxy)-4-hydroxy-butyl]benzonitrile CAS Name: 2-[1-(3,4-dimethoxyphenoxy)-4-hydroxybutyl]benzonitrile IUPAC Name: 2-[1-(3,4-dimethoxyphenoxy)-4-hydroxybutyl]benzonitrile Traditional Name: 2-[1-(3,4-dimethoxyphenoxy)-4-hydroxy-butyl]benzonitrile Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC(CCCO)C2=CC=CC=C2C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)OC(CCCO)C2=CC=CC=C2C#N)OC

InChI

InChI=1S/C19H21NO4/c1-22-18-10-9-15(12-19(18)23-2)24-17(8-5-11-21)16-7-4-3-6-14(16)13-20/h3-4,6-7,9-10,12,17,21H,5,8,11H2,1-2H3