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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-(2-bromanyl-4-ethyl-phenoxy)butanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 4-(2-bromo-4-ethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-ethylphenoxy)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-ethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-ethyl-phenoxy)butyric acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C29H29BrN2O6 MolecularWeight: 581.45436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)OCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)OCC)Br

InChI

InChI=1S/C29H29BrN2O6/c1-3-20-9-11-25(24(30)16-20)37-14-6-8-28(33)38-26-12-10-21(17-27(26)35-4-2)15-22(18-31)29(34)32-19-23-7-5-13-36-23/h5,7,9-13,15-17H,3-4,6,8,14,19H2,1-2H3,(H,32,34)/b22-15+