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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-(2-bromanyl-4-methyl-phenoxy)butanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]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]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 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]phenyl] ester Formula: C26H23BrN2O5 MolecularWeight: 523.37522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)Br

InChI

InChI=1S/C26H23BrN2O5/c1-18-6-11-24(23(27)14-18)33-13-3-5-25(30)34-21-9-7-19(8-10-21)15-20(16-28)26(31)29-17-22-4-2-12-32-22/h2,4,6-12,14-15H,3,5,13,17H2,1H3,(H,29,31)/b20-15+