methyl (2S)-3-[3,4-bis(oxidanyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[3,4-bis(oxidanyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(3,4-dihydroxyphenyl)propanoate CAS Name: (2S)-3-(3,4-dihydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3,4-dihydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(3,4-dihydroxyphenyl)propionic acid methyl ester Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C=C1)O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO6/c1-24-17(22)14(9-13-7-8-15(20)16(21)10-13)19-18(23)25-11-12-5-3-2-4-6-12/h2-8,10,14,20-21H,9,11H2,1H3,(H,19,23)/t14-/m0/s1