(2-methylphenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: (2-methylphenyl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: o-tolyl (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid o-tolyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-3-4-13-24-19-11-9-17(10-12-19)14-18(15-22)21(23)25-20-8-6-5-7-16(20)2/h5-12,14H,3-4,13H2,1-2H3/b18-14+