(2-methyl-3-phenyl-hexyl) (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: (2-methyl-3-phenyl-hexyl) (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: (2-methyl-3-phenyl-hexyl) (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid (2-methyl-3-phenylhexyl) ester IUPAC Name: (2-methyl-3-phenylhexyl) (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid (2-methyl-3-phenyl-hexyl) ester Formula: C23H25NO2 MolecularWeight: 347.4501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)C(C)COC(=O)C(=CC2=CC=CC=C2)C#N

Isomeric SMILES

CCCC(C1=CC=CC=C1)C(C)COC(=O)/C(=C/C2=CC=CC=C2)/C#N

InChI

InChI=1S/C23H25NO2/c1-3-10-22(20-13-8-5-9-14-20)18(2)17-26-23(25)21(16-24)15-19-11-6-4-7-12-19/h4-9,11-15,18,22H,3,10,17H2,1-2H3/b21-15+