ethyl 4-[5-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC)/C#N

InChI

InChI=1S/C21H22N2O4/c1-3-5-12-23-20(24)17(14-22)13-18-10-11-19(27-18)15-6-8-16(9-7-15)21(25)26-4-2/h6-11,13H,3-5,12H2,1-2H3,(H,23,24)/b17-13+