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

Systemtic Name: (4-ethanoylphenyl) 3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: (4-acetylphenyl) 3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: 3-(4-butoxyphenyl)-2-cyano-2-propenoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: 3-(4-butoxyphenyl)-2-cyano-acrylic acid (4-acetylphenyl) ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4/c1-3-4-13-26-20-9-5-17(6-10-20)14-19(15-23)22(25)27-21-11-7-18(8-12-21)16(2)24/h5-12,14H,3-4,13H2,1-2H3