[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]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]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]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]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 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]phenyl] ester Formula: C27H25BrN2O5 MolecularWeight: 537.4018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25BrN2O5/c1-17(2)23-13-24(28)18(3)11-25(23)34-16-26(31)35-21-8-6-19(7-9-21)12-20(14-29)27(32)30-15-22-5-4-10-33-22/h4-13,17H,15-16H2,1-3H3,(H,30,32)/b20-12+