2-[(2E)-2-(phenylmethylidene)heptoxy]ethanenitrile

Systemtic Name: 2-[(2E)-2-(phenylmethylidene)heptoxy]ethanenitrile Openeye Name: 2-[(2E)-2-benzylideneheptoxy]acetonitrile CAS Name: 2-[(2E)-2-(phenylmethylene)heptoxy]acetonitrile IUPAC Name: 2-[(2E)-2-benzylideneheptoxy]acetonitrile Traditional Name: 2-[(E)-2-amyl-3-phenyl-allyloxy]acetonitrile Formula: C16H21NO MolecularWeight: 243.34404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)COCC#N

Isomeric SMILES

CCCCC/C(=C\C1=CC=CC=C1)/COCC#N

InChI

InChI=1S/C16H21NO/c1-2-3-5-10-16(14-18-12-11-17)13-15-8-6-4-7-9-15/h4,6-9,13H,2-3,5,10,12,14H2,1H3/b16-13+