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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 2-(2-bromo-4-isopropyl-phenoxy)acetate CAS Name: 2-(2-bromo-4-propan-2-ylphenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 2-(2-bromo-4-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-bromo-4-isopropyl-phenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C26H23BrN2O5 MolecularWeight: 523.37522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23BrN2O5/c1-17(2)19-7-10-24(23(27)13-19)33-16-25(30)34-21-8-5-18(6-9-21)12-20(14-28)26(31)29-15-22-4-3-11-32-22/h3-13,17H,15-16H2,1-2H3,(H,29,31)/b20-12+