[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 3,4,5-triethoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 3,4,5-triethoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic 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] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C30H32N2O8 MolecularWeight: 548.58368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)OCC

InChI

InChI=1S/C30H32N2O8/c1-5-35-25-15-20(14-22(18-31)29(33)32-19-23-10-9-13-39-23)11-12-24(25)40-30(34)21-16-26(36-6-2)28(38-8-4)27(17-21)37-7-3/h9-17H,5-8,19H2,1-4H3,(H,32,33)/b22-14+