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

Systemtic Name: ethyl 4-[5-[(E)-2-cyano-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-cyano-3-(3-imidazol-1-ylpropylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-[3-(1-imidazolyl)propylamino]-3-oxoprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-cyano-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-(3-imidazol-1-ylpropylamino)-3-keto-prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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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)NCCCN3C=CN=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C23H22N4O4/c1-2-30-23(29)18-6-4-17(5-7-18)21-9-8-20(31-21)14-19(15-24)22(28)26-10-3-12-27-13-11-25-16-27/h4-9,11,13-14,16H,2-3,10,12H2,1H3,(H,26,28)/b19-14+