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

Systemtic Name: methyl 4-[[2-(2-cyano-3-phenyl-prop-2-enoyl)oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(2-cyano-3-phenyl-prop-2-enoyl)oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(2-cyano-1-oxo-3-phenylprop-2-enoxy)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2-cyano-3-phenylprop-2-enoyl)oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(2-cyano-3-phenyl-acryloyl)oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C(=CC2=CC=CC=C2)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C(=CC2=CC=CC=C2)C#N

InChI

InChI=1S/C21H18N2O5/c1-27-20(25)17-9-7-16(8-10-17)13-23-19(24)14-28-21(26)18(12-22)11-15-5-3-2-4-6-15/h2-11H,13-14H2,1H3,(H,23,24)