methyl 4-bromanyl-5-[[(E)-3-chloranylprop-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-7-phenylmethoxy-1-benzofuran-2-carboxylate

Systemtic Name: methyl 4-bromanyl-5-[[(E)-3-chloranylprop-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-7-phenylmethoxy-1-benzofuran-2-carboxylate Openeye Name: methyl 7-benzyloxy-4-bromo-5-[tert-butoxycarbonyl-[(E)-3-chloroallyl]amino]benzofuran-2-carboxylate CAS Name: 4-bromo-5-[[(E)-3-chloroprop-2-enyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-phenylmethoxy-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-5-[[(E)-3-chloroprop-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-7-phenylmethoxy-1-benzofuran-2-carboxylate Traditional Name: 7-benzoxy-4-bromo-5-[tert-butoxycarbonyl-[(E)-3-chloroallyl]amino]coumarilic acid methyl ester Formula: C25H25BrClNO6 MolecularWeight: 550.8261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC=CCl)C1=CC(=C2C(=C1Br)C=C(O2)C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(C/C=C/Cl)C1=CC(=C2C(=C1Br)C=C(O2)C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25BrClNO6/c1-25(2,3)34-24(30)28(12-8-11-27)18-14-19(32-15-16-9-6-5-7-10-16)22-17(21(18)26)13-20(33-22)23(29)31-4/h5-11,13-14H,12,15H2,1-4H3/b11-8+