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

Systemtic Name: methyl 3-[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxyethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxyacetyl]amino]benzoate CAS Name: 3-[[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]oxyacetyl]amino]benzoate Traditional Name: 3-[[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(=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-25(2)19-9-7-15(8-10-19)11-17(13-23)22(28)30-14-20(26)24-18-6-4-5-16(12-18)21(27)29-3/h4-12H,14H2,1-3H3,(H,24,26)/b17-11+