ethyl 2-[2-[(E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoyl]oxyethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C(=CC2=CC(=CC=C2)OC)C#N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)/C(=C/C2=CC(=CC=C2)OC)/C#N

InChI

InChI=1S/C22H20N2O6/c1-3-29-22(27)18-9-4-5-10-19(18)24-20(25)14-30-21(26)16(13-23)11-15-7-6-8-17(12-15)28-2/h4-12H,3,14H2,1-2H3,(H,24,25)/b16-11+