(phenylmethyl) (E)-2-cyano-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: (phenylmethyl) (E)-2-cyano-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: benzyl (E)-2-cyano-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxy-4-propoxyphenyl)-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-2-cyano-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxy-4-propoxy-phenyl)acrylic acid benzyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)OCC2=CC=CC=C2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H21NO4/c1-3-11-25-19-10-9-17(13-20(19)24-2)12-18(14-22)21(23)26-15-16-7-5-4-6-8-16/h4-10,12-13H,3,11,15H2,1-2H3/b18-12+