2-(5-bromanyl-2,3-dimethoxy-phenyl)-2-(phenylmethoxycarbonylamino)ethanoic acid

Systemtic Name: 2-(5-bromanyl-2,3-dimethoxy-phenyl)-2-(phenylmethoxycarbonylamino)ethanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-2-(5-bromo-2,3-dimethoxy-phenyl)acetic acid CAS Name: 2-(5-bromo-2,3-dimethoxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid IUPAC Name: 2-(5-bromo-2,3-dimethoxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid Traditional Name: 2-(benzyloxycarbonylamino)-2-(5-bromo-2,3-dimethoxy-phenyl)acetic acid Formula: C18H18BrNO6 MolecularWeight: 424.24262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C(C(=O)O)NC(=O)OCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C(C(=O)O)NC(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C18H18BrNO6/c1-24-14-9-12(19)8-13(16(14)25-2)15(17(21)22)20-18(23)26-10-11-6-4-3-5-7-11/h3-9,15H,10H2,1-2H3,(H,20,23)(H,21,22)