2-[(3S,4S)-2-methyl-4-phenyl-pentan-3-yl]propanedinitrile

Systemtic Name: 2-[(3S,4S)-2-methyl-4-phenyl-pentan-3-yl]propanedinitrile Openeye Name: 2-[(1S,2S)-1-isopropyl-2-phenyl-propyl]propanedinitrile CAS Name: 2-[(3S,4S)-2-methyl-4-phenylpentan-3-yl]propanedinitrile IUPAC Name: 2-[(3S,4S)-2-methyl-4-phenylpentan-3-yl]propanedinitrile Traditional Name: 2-[(1S,2S)-1-isopropyl-2-phenyl-propyl]malononitrile Formula: C15H18N2 MolecularWeight: 226.31682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[C@H](C(C)C)C(C#N)C#N

InChI

InChI=1S/C15H18N2/c1-11(2)15(14(9-16)10-17)12(3)13-7-5-4-6-8-13/h4-8,11-12,14-15H,1-3H3/t12-,15+/m1/s1