methyl 5-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)carbonylamino]furan-2-carboxylate

Systemtic Name: methyl 5-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)carbonylamino]furan-2-carboxylate Openeye Name: methyl 5-[(4-benzyloxy-3-bromo-5-methoxy-benzoyl)amino]furan-2-carboxylate CAS Name: 5-[[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-oxomethyl]amino]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-bromo-5-methoxy-4-phenylmethoxybenzoyl)amino]furan-2-carboxylate Traditional Name: 5-[(4-benzoxy-3-bromo-5-methoxy-benzoyl)amino]furan-2-carboxylic acid methyl ester Formula: C21H18BrNO6 MolecularWeight: 460.27472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NC2=CC=C(O2)C(=O)OC)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NC2=CC=C(O2)C(=O)OC)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO6/c1-26-17-11-14(20(24)23-18-9-8-16(29-18)21(25)27-2)10-15(22)19(17)28-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,23,24)