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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-(2-bromanyl-4-methyl-phenoxy)butanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 4-(2-bromo-4-methyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-methylphenoxy)butanoic 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] 4-(2-bromo-4-methylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-methyl-phenoxy)butyric acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C28H27BrN2O6 MolecularWeight: 567.42778

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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)CCCOC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OC(=O)CCCOC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C28H27BrN2O6/c1-3-34-26-16-20(15-21(17-30)28(33)31-18-22-6-4-12-35-22)9-11-25(26)37-27(32)7-5-13-36-24-10-8-19(2)14-23(24)29/h4,6,8-12,14-16H,3,5,7,13,18H2,1-2H3,(H,31,33)/b21-15+