[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-(2-bromanyl-4-propyl-phenoxy)ethanoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-(2-bromanyl-4-propyl-phenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 2-(2-bromo-4-propyl-phenoxy)acetate CAS Name: 2-(2-bromo-4-propylphenoxy)acetic 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] 2-(2-bromo-4-propylphenoxy)acetate Traditional Name: 2-(2-bromo-4-propyl-phenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C28H27BrN2O6 MolecularWeight: 567.42778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)OCC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)OCC)Br

InChI

InChI=1S/C28H27BrN2O6/c1-3-6-19-8-10-24(23(29)14-19)36-18-27(32)37-25-11-9-20(15-26(25)34-4-2)13-21(16-30)28(33)31-17-22-7-5-12-35-22/h5,7-15H,3-4,6,17-18H2,1-2H3,(H,31,33)/b21-13+