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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C(=CC2=CC(=CC=C2)OC)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)/C(=C/C2=CC(=CC=C2)OC)/C#N

InChI

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