2-[3-[(heptan-2-ylamino)methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[(heptan-2-ylamino)methyl]phenoxy]ethanenitrile Openeye Name: 2-[3-[(1-methylhexylamino)methyl]phenoxy]acetonitrile CAS Name: 2-[3-[(heptan-2-ylamino)methyl]phenoxy]acetonitrile IUPAC Name: 2-[3-[(heptan-2-ylamino)methyl]phenoxy]acetonitrile Traditional Name: 2-[3-[(1-methylhexylamino)methyl]phenoxy]acetonitrile Formula: C16H24N2O MolecularWeight: 260.37456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NCC1=CC(=CC=C1)OCC#N

Isomeric SMILES

CCCCCC(C)NCC1=CC(=CC=C1)OCC#N

InChI

InChI=1S/C16H24N2O/c1-3-4-5-7-14(2)18-13-15-8-6-9-16(12-15)19-11-10-17/h6,8-9,12,14,18H,3-5,7,11,13H2,1-2H3