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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-phenoxybutanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic 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] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H26N2O6 MolecularWeight: 474.50514

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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)CCCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C27H26N2O6/c1-2-32-25-17-20(16-21(18-28)27(31)29-19-23-10-6-14-34-23)12-13-24(25)35-26(30)11-7-15-33-22-8-4-3-5-9-22/h3-6,8-10,12-14,16-17H,2,7,11,15,19H2,1H3,(H,29,31)/b21-16+