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

Systemtic Name: (2-ethyl-3-phenyl-hexyl) (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: (2-ethyl-3-phenyl-hexyl) (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid (2-ethyl-3-phenylhexyl) ester IUPAC Name: (2-ethyl-3-phenylhexyl) (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid (2-ethyl-3-phenyl-hexyl) ester Formula: C24H27NO2 MolecularWeight: 361.47668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO2/c1-3-11-23(21-14-9-6-10-15-21)20(4-2)18-27-24(26)22(17-25)16-19-12-7-5-8-13-19/h5-10,12-16,20,23H,3-4,11,18H2,1-2H3/b22-16+