[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetate CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H27BrN2O6 MolecularWeight: 567.42778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)OC

InChI

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