3-[3,4-bis(oxidanyl)phenyl]-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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