2-(3,4-diheptoxyphenyl)ethanenitrile

Systemtic Name: 2-(3,4-diheptoxyphenyl)ethanenitrile Openeye Name: 2-(3,4-diheptoxyphenyl)acetonitrile CAS Name: 2-(3,4-diheptoxyphenyl)acetonitrile IUPAC Name: 2-(3,4-diheptoxyphenyl)acetonitrile Traditional Name: 2-(3,4-diheptoxyphenyl)acetonitrile Formula: C22H35NO2 MolecularWeight: 345.5188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)CC#N)OCCCCCCC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)CC#N)OCCCCCCC

InChI

InChI=1S/C22H35NO2/c1-3-5-7-9-11-17-24-21-14-13-20(15-16-23)19-22(21)25-18-12-10-8-6-4-2/h13-14,19H,3-12,15,17-18H2,1-2H3