(2-bromanyl-4-phenyl-phenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: (2-bromanyl-4-phenyl-phenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: (2-bromo-4-phenyl-phenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid (2-bromo-4-phenylphenyl) ester IUPAC Name: (2-bromo-4-phenylphenyl) (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid (2-bromo-4-phenyl-phenyl) ester Formula: C26H22BrNO3 MolecularWeight: 476.36178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC2=C(C=C(C=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C26H22BrNO3/c1-2-3-15-30-23-12-9-19(10-13-23)16-22(18-28)26(29)31-25-14-11-21(17-24(25)27)20-7-5-4-6-8-20/h4-14,16-17H,2-3,15H2,1H3/b22-16+