(4-phenylmethoxyphenyl) 3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: (4-phenylmethoxyphenyl) 3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: (4-benzyloxyphenyl) 3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: 3-(4-butoxyphenyl)-2-cyano-2-propenoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: 3-(4-butoxyphenyl)-2-cyano-acrylic acid (4-benzoxyphenyl) ester Formula: C27H25NO4 MolecularWeight: 427.4917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H25NO4/c1-2-3-17-30-24-11-9-21(10-12-24)18-23(19-28)27(29)32-26-15-13-25(14-16-26)31-20-22-7-5-4-6-8-22/h4-16,18H,2-3,17,20H2,1H3