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

Systemtic Name: methyl 2-[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxyethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxyacetyl]amino]benzoate CAS Name: 2-[[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)acryloyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C22H21N3O5/c1-25(2)17-10-8-15(9-11-17)12-16(13-23)21(27)30-14-20(26)24-19-7-5-4-6-18(19)22(28)29-3/h4-12H,14H2,1-3H3,(H,24,26)/b16-12+