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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-(2-bromanyl-4-phenyl-phenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 2-(2-bromo-4-phenyl-phenoxy)acetate CAS Name: 2-(2-bromo-4-phenylphenoxy)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-(2-bromo-4-phenylphenoxy)acetate Traditional Name: 2-(2-bromo-4-phenyl-phenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C31H25BrN2O6 MolecularWeight: 601.444

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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)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C31H25BrN2O6/c1-2-37-29-16-21(15-24(18-33)31(36)34-19-25-9-6-14-38-25)10-12-28(29)40-30(35)20-39-27-13-11-23(17-26(27)32)22-7-4-3-5-8-22/h3-17H,2,19-20H2,1H3,(H,34,36)/b24-15+