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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 3-methylbutanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-14(2)10-19(23)26-17-7-5-15(6-8-17)11-16(12-21)20(24)22-13-18-4-3-9-25-18/h3-9,11,14H,10,13H2,1-2H3,(H,22,24)/b16-11+