(phenylmethyl) N-[(2S,3S)-4-bromanyl-3-oxidanyl-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3S)-4-bromanyl-3-oxidanyl-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-1-[(4-benzyloxyphenyl)methyl]-3-bromo-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3S)-4-bromo-3-hydroxy-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-4-bromo-3-hydroxy-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-(4-benzoxybenzyl)-3-bromo-2-hydroxy-propyl]carbamic acid benzyl ester Formula: C25H26BrNO4 MolecularWeight: 484.38224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(CBr)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@@H]([C@@H](CBr)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26BrNO4/c26-16-24(28)23(27-25(29)31-18-21-9-5-2-6-10-21)15-19-11-13-22(14-12-19)30-17-20-7-3-1-4-8-20/h1-14,23-24,28H,15-18H2,(H,27,29)/t23-,24+/m0/s1