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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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