(phenylmethyl) 4-[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]oxybenzoate

Systemtic Name: (phenylmethyl) 4-[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]oxybenzoate Openeye Name: benzyl 4-[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]oxybenzoate CAS Name: 4-[(E)-2-cyano-1-oxo-3-(2-propoxyphenyl)prop-2-enoxy]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]oxybenzoate Traditional Name: 4-[(E)-2-cyano-3-(2-propoxyphenyl)acryloyl]oxybenzoic acid benzyl ester Formula: C27H23NO5 MolecularWeight: 441.47522

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H23NO5/c1-2-16-31-25-11-7-6-10-22(25)17-23(18-28)27(30)33-24-14-12-21(13-15-24)26(29)32-19-20-8-4-3-5-9-20/h3-15,17H,2,16,19H2,1H3/b23-17+