2-[4-[1-[(3-ethynylphenyl)amino]ethyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[1-[(3-ethynylphenyl)amino]ethyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[1-(3-ethynylanilino)ethyl]phenoxy]acetonitrile CAS Name: 2-[4-[1-(3-ethynylanilino)ethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[1-(3-ethynylanilino)ethyl]phenoxy]acetonitrile Traditional Name: 2-[4-[1-(3-ethynylanilino)ethyl]phenoxy]acetonitrile Formula: C18H16N2O MolecularWeight: 276.33244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OCC#N)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CC(C1=CC=C(C=C1)OCC#N)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C18H16N2O/c1-3-15-5-4-6-17(13-15)20-14(2)16-7-9-18(10-8-16)21-12-11-19/h1,4-10,13-14,20H,12H2,2H3