methyl 4-bromanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxy-1-benzofuran-2-carboxylate

Systemtic Name: methyl 4-bromanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxy-1-benzofuran-2-carboxylate Openeye Name: methyl 7-benzyloxy-4-bromo-5-(tert-butoxycarbonylamino)benzofuran-2-carboxylate CAS Name: 4-bromo-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-phenylmethoxy-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxy-1-benzofuran-2-carboxylate Traditional Name: 7-benzoxy-4-bromo-5-(tert-butoxycarbonylamino)coumarilic acid methyl ester Formula: C22H22BrNO6 MolecularWeight: 476.31718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=C2C(=C1Br)C=C(O2)C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=C2C(=C1Br)C=C(O2)C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22BrNO6/c1-22(2,3)30-21(26)24-15-11-16(28-12-13-8-6-5-7-9-13)19-14(18(15)23)10-17(29-19)20(25)27-4/h5-11H,12H2,1-4H3,(H,24,26)