(4-chloranyl-3,5-dimethyl-phenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C22H22ClNO3 MolecularWeight: 383.86798

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO3/c1-4-5-10-26-19-8-6-17(7-9-19)13-18(14-24)22(25)27-20-11-15(2)21(23)16(3)12-20/h6-9,11-13H,4-5,10H2,1-3H3/b18-13+