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

Systemtic Name: ethyl 4-[5-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H22N2O4/c1-2-30-25(29)20-10-8-19(9-11-20)23-13-12-22(31-23)16-21(17-26)24(28)27-15-14-18-6-4-3-5-7-18/h3-13,16H,2,14-15H2,1H3,(H,27,28)/b21-16+