ethyl (Z)-4-(5-bromanyl-2-methyl-1-benzofuran-3-yl)-6-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxidanylidene-hex-4-enoate

Systemtic Name: ethyl (Z)-4-(5-bromanyl-2-methyl-1-benzofuran-3-yl)-6-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxidanylidene-hex-4-enoate Openeye Name: ethyl (Z)-4-(5-bromo-2-methyl-benzofuran-3-yl)-6-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxo-hex-4-enoate CAS Name: (Z)-4-(5-bromo-2-methyl-3-benzofuranyl)-6-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxo-4-hexenoic acid ethyl ester IUPAC Name: ethyl (Z)-4-(5-bromo-2-methyl-1-benzofuran-3-yl)-6-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxohex-4-enoate Traditional Name: (Z)-4-(5-bromo-2-methyl-benzofuran-3-yl)-6-(homoveratrylamino)-6-keto-hex-4-enoic acid ethyl ester Formula: C27H30BrNO6 MolecularWeight: 544.4342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=CC(=O)NCCC1=CC(=C(C=C1)OC)OC)C2=C(OC3=C2C=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)CC/C(=C/C(=O)NCCC1=CC(=C(C=C1)OC)OC)/C2=C(OC3=C2C=C(C=C3)Br)C

InChI

InChI=1S/C27H30BrNO6/c1-5-34-26(31)11-7-19(27-17(2)35-22-10-8-20(28)16-21(22)27)15-25(30)29-13-12-18-6-9-23(32-3)24(14-18)33-4/h6,8-10,14-16H,5,7,11-13H2,1-4H3,(H,29,30)/b19-15-