methyl (2R)-3-(5-bromanyl-2-oxidanylidene-3H-1,3-benzoxazol-6-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2R)-3-(5-bromanyl-2-oxidanylidene-3H-1,3-benzoxazol-6-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2R)-2-(benzyloxycarbonylamino)-3-(5-bromo-2-oxo-3H-1,3-benzoxazol-6-yl)propanoate CAS Name: (2R)-3-(5-bromo-2-oxo-3H-1,3-benzoxazol-6-yl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(5-bromo-2-oxo-3H-1,3-benzoxazol-6-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-3-(5-bromo-2-keto-3H-1,3-benzoxazol-6-yl)propionic acid methyl ester Formula: C19H17BrN2O6 MolecularWeight: 449.25208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1Br)NC(=O)O2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H](CC1=CC2=C(C=C1Br)NC(=O)O2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H17BrN2O6/c1-26-17(23)15(22-18(24)27-10-11-5-3-2-4-6-11)7-12-8-16-14(9-13(12)20)21-19(25)28-16/h2-6,8-9,15H,7,10H2,1H3,(H,21,25)(H,22,24)/t15-/m1/s1