butyl 4-[2-[(E)-2-cyano-3-(furan-2-yl)prop-2-enoyl]oxyethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(E)-2-cyano-3-(furan-2-yl)prop-2-enoyl]oxyethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(E)-2-cyano-3-(2-furyl)prop-2-enoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[(E)-2-cyano-3-(2-furanyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(E)-2-cyano-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[(E)-2-cyano-3-(2-furyl)acryloyl]oxyacetyl]amino]benzoic acid butyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C(=CC2=CC=CO2)C#N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)/C(=C/C2=CC=CO2)/C#N

InChI

InChI=1S/C21H20N2O6/c1-2-3-10-28-20(25)15-6-8-17(9-7-15)23-19(24)14-29-21(26)16(13-22)12-18-5-4-11-27-18/h4-9,11-12H,2-3,10,14H2,1H3,(H,23,24)/b16-12+