(E,2S)-6-methoxy-2-phenyl-2-propan-2-yl-hex-5-enenitrile

Systemtic Name: (E,2S)-6-methoxy-2-phenyl-2-propan-2-yl-hex-5-enenitrile Openeye Name: (E,2S)-2-isopropyl-6-methoxy-2-phenyl-hex-5-enenitrile CAS Name: (E,2S)-6-methoxy-2-phenyl-2-propan-2-yl-5-hexenenitrile IUPAC Name: (E,2S)-6-methoxy-2-phenyl-2-propan-2-ylhex-5-enenitrile Traditional Name: (E,2S)-2-isopropyl-6-methoxy-2-phenyl-hex-5-enenitrile Formula: C16H21NO MolecularWeight: 243.34404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@](CC/C=C/OC)(C#N)C1=CC=CC=C1

InChI

InChI=1S/C16H21NO/c1-14(2)16(13-17,11-7-8-12-18-3)15-9-5-4-6-10-15/h4-6,8-10,12,14H,7,11H2,1-3H3/b12-8+/t16-/m0/s1