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

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C25H29NO3 MolecularWeight: 391.50266

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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)C)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO3/c1-6-7-14-28-21-11-9-19(10-12-21)16-20(17-26)24(27)29-23-13-8-18(2)15-22(23)25(3,4)5/h8-13,15-16H,6-7,14H2,1-5H3/b20-16+