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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 3,4-dimethylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OC(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C26H24N2O5/c1-4-31-24-14-19(13-21(15-27)25(29)28-16-22-6-5-11-32-22)8-10-23(24)33-26(30)20-9-7-17(2)18(3)12-20/h5-14H,4,16H2,1-3H3,(H,28,29)/b21-13+