(4-bromanyl-2,6-dimethyl-phenyl) 3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: 3-(4-butoxyphenyl)-2-cyano-2-propenoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: 3-(4-butoxyphenyl)-2-cyano-acrylic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C22H22BrNO3 MolecularWeight: 428.31898

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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=C2C)Br)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C22H22BrNO3/c1-4-5-10-26-20-8-6-17(7-9-20)13-18(14-24)22(25)27-21-15(2)11-19(23)12-16(21)3/h6-9,11-13H,4-5,10H2,1-3H3