2-bromoethyl (2S)-3-(4-methoxy-3-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: 2-bromoethyl (2S)-3-(4-methoxy-3-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: 2-bromoethyl (2S)-2-(benzyloxycarbonylamino)-3-(3-hydroxy-4-methoxy-phenyl)propanoate CAS Name: (2S)-3-(3-hydroxy-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl (2S)-3-(3-hydroxy-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(3-hydroxy-4-methoxy-phenyl)propionic acid 2-bromoethyl ester Formula: C20H22BrNO6 MolecularWeight: 452.29578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)OCCBr)NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@@H](C(=O)OCCBr)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C20H22BrNO6/c1-26-18-8-7-15(12-17(18)23)11-16(19(24)27-10-9-21)22-20(25)28-13-14-5-3-2-4-6-14/h2-8,12,16,23H,9-11,13H2,1H3,(H,22,25)/t16-/m0/s1