2-[3-(heptylamino)phenoxy]ethanenitrile

Systemtic Name: 2-[3-(heptylamino)phenoxy]ethanenitrile Openeye Name: 2-[3-(heptylamino)phenoxy]acetonitrile CAS Name: 2-[3-(heptylamino)phenoxy]acetonitrile IUPAC Name: 2-[3-(heptylamino)phenoxy]acetonitrile Traditional Name: 2-[3-(heptylamino)phenoxy]acetonitrile Formula: C15H22N2O MolecularWeight: 246.34798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=CC(=CC=C1)OCC#N

Isomeric SMILES

CCCCCCCNC1=CC(=CC=C1)OCC#N

InChI

InChI=1S/C15H22N2O/c1-2-3-4-5-6-11-17-14-8-7-9-15(13-14)18-12-10-16/h7-9,13,17H,2-6,11-12H2,1H3