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

Systemtic Name: 2-[3-(heptan-2-ylamino)phenoxy]ethanenitrile Openeye Name: 2-[3-(1-methylhexylamino)phenoxy]acetonitrile CAS Name: 2-[3-(heptan-2-ylamino)phenoxy]acetonitrile IUPAC Name: 2-[3-(heptan-2-ylamino)phenoxy]acetonitrile Traditional Name: 2-[3-(1-methylhexylamino)phenoxy]acetonitrile Formula: C15H22N2O MolecularWeight: 246.34798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=CC(=CC=C1)OCC#N

Isomeric SMILES

CCCCCC(C)NC1=CC(=CC=C1)OCC#N

InChI

InChI=1S/C15H22N2O/c1-3-4-5-7-13(2)17-14-8-6-9-15(12-14)18-11-10-16/h6,8-9,12-13,17H,3-5,7,11H2,1-2H3