[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] butanoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] butanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] butanoate CAS Name: butanoic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] butanoate Traditional Name: butyric acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OC

InChI

InChI=1S/C20H20N2O5/c1-3-5-19(23)27-17-8-7-14(11-18(17)25-2)10-15(12-21)20(24)22-13-16-6-4-9-26-16/h4,6-11H,3,5,13H2,1-2H3,(H,22,24)/b15-10+