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

Systemtic Name: 2-[4-[1-(3-methylbutylamino)ethyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[1-(isopentylamino)ethyl]phenoxy]acetonitrile CAS Name: 2-[4-[1-(3-methylbutylamino)ethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[1-(3-methylbutylamino)ethyl]phenoxy]acetonitrile Traditional Name: 2-[4-[1-(isoamylamino)ethyl]phenoxy]acetonitrile Formula: C15H22N2O MolecularWeight: 246.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(C)C1=CC=C(C=C1)OCC#N

Isomeric SMILES

CC(C)CCNC(C)C1=CC=C(C=C1)OCC#N

InChI

InChI=1S/C15H22N2O/c1-12(2)8-10-17-13(3)14-4-6-15(7-5-14)18-11-9-16/h4-7,12-13,17H,8,10-11H2,1-3H3