(phenylmethyl) (E)-3-(2-butoxyphenyl)-2-cyano-prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=C(C#N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H21NO3/c1-2-3-13-24-20-12-8-7-11-18(20)14-19(15-22)21(23)25-16-17-9-5-4-6-10-17/h4-12,14H,2-3,13,16H2,1H3/b19-14+