methyl 4-[2-[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[(E)-2-cyano-3-(4-ethoxyphenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[(E)-2-cyano-3-p-phenetyl-acryloyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H20N2O6/c1-3-29-19-10-4-15(5-11-19)12-17(13-23)22(27)30-14-20(25)24-18-8-6-16(7-9-18)21(26)28-2/h4-12H,3,14H2,1-2H3,(H,24,25)/b17-12+