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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 2-(4-bromo-2-isopropyl-phenoxy)acetate CAS Name: 2-(4-bromo-2-propan-2-ylphenoxy)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-(4-bromo-2-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-bromo-2-isopropyl-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:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC(=O)COC3=C(C=C(C=C3)Br)C(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OC(=O)COC3=C(C=C(C=C3)Br)C(C)C

InChI

InChI=1S/C28H27BrN2O6/c1-4-34-26-13-19(12-20(15-30)28(33)31-16-22-6-5-11-35-22)7-9-25(26)37-27(32)17-36-24-10-8-21(29)14-23(24)18(2)3/h5-14,18H,4,16-17H2,1-3H3,(H,31,33)/b20-12+