2-[2-(2-ethylhexoxy)-4-methanoyl-phenyl]ethanenitrile

Systemtic Name: 2-[2-(2-ethylhexoxy)-4-methanoyl-phenyl]ethanenitrile Openeye Name: 2-[2-(2-ethylhexoxy)-4-formyl-phenyl]acetonitrile CAS Name: 2-[2-(2-ethylhexoxy)-4-formylphenyl]acetonitrile IUPAC Name: 2-[2-(2-ethylhexoxy)-4-formylphenyl]acetonitrile Traditional Name: 2-[2-(2-ethylhexoxy)-4-formyl-phenyl]acetonitrile Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=C(C=CC(=C1)C=O)CC#N

Isomeric SMILES

CCCCC(CC)COC1=C(C=CC(=C1)C=O)CC#N

InChI

InChI=1S/C17H23NO2/c1-3-5-6-14(4-2)13-20-17-11-15(12-19)7-8-16(17)9-10-18/h7-8,11-12,14H,3-6,9,13H2,1-2H3