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

Systemtic Name: (4-chloranyl-2-methyl-phenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: (4-chloro-2-methyl-phenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid (4-chloro-2-methyl-phenyl) ester Formula: C21H20ClNO3 MolecularWeight: 369.8414

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO3/c1-3-4-11-25-19-8-5-16(6-9-19)13-17(14-23)21(24)26-20-10-7-18(22)12-15(20)2/h5-10,12-13H,3-4,11H2,1-2H3/b17-13+