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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] (E)-3-phenylprop-2-enoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic 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] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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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)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O5/c1-2-31-24-16-20(15-21(17-27)26(30)28-18-22-9-6-14-32-22)10-12-23(24)33-25(29)13-11-19-7-4-3-5-8-19/h3-16H,2,18H2,1H3,(H,28,30)/b13-11+,21-15+