2-[[6-bromanyl-7-oxidanyl-2-oxidanylidene-4-(2-phenylethanoyloxymethyl)chromen-8-yl]methyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[6-bromanyl-7-oxidanyl-2-oxidanylidene-4-(2-phenylethanoyloxymethyl)chromen-8-yl]methyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[6-bromo-7-hydroxy-2-oxo-4-[(2-phenylacetyl)oxymethyl]chromen-8-yl]methyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[[6-bromo-7-hydroxy-2-oxo-4-[(1-oxo-2-phenylethoxy)methyl]-1-benzopyran-8-yl]methyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[6-bromo-7-hydroxy-2-oxo-4-[(2-phenylacetyl)oxymethyl]chromen-8-yl]methyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[6-bromo-7-hydroxy-2-keto-4-[(2-phenylacetyl)oxymethyl]chromen-8-yl]methyl-(carboxymethyl)amino]acetic acid Formula: C23H20BrNO9 MolecularWeight: 534.3102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)OCC2=CC(=O)OC3=C(C(=C(C=C23)Br)O)CN(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)OCC2=CC(=O)OC3=C(C(=C(C=C23)Br)O)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C23H20BrNO9/c24-17-8-15-14(12-33-20(30)6-13-4-2-1-3-5-13)7-21(31)34-23(15)16(22(17)32)9-25(10-18(26)27)11-19(28)29/h1-5,7-8,32H,6,9-12H2,(H,26,27)(H,28,29)