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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 2-(4-bromo-2-tert-butyl-phenoxy)acetate CAS Name: 2-(4-bromo-2-tert-butylphenoxy)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-2-tert-butylphenoxy)acetate Traditional Name: 2-(4-bromo-2-tert-butyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25BrN2O5/c1-27(2,3)23-14-20(28)8-11-24(23)34-17-25(31)35-21-9-6-18(7-10-21)13-19(15-29)26(32)30-16-22-5-4-12-33-22/h4-14H,16-17H2,1-3H3,(H,30,32)/b19-13+