3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-[(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-[(phenylmethyl)amino]propanoic acid Openeye Name: 2-(benzylamino)-3-(3,4-dihydroxyphenyl)-3-hydroxy-propanoic acid CAS Name: 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(phenylmethyl)amino]propanoic acid IUPAC Name: 2-(benzylamino)-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid Traditional Name: 2-(benzylamino)-3-(3,4-dihydroxyphenyl)-3-hydroxy-propionic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C(C2=CC(=C(C=C2)O)O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(C(C2=CC(=C(C=C2)O)O)O)C(=O)O

InChI

InChI=1S/C16H17NO5/c18-12-7-6-11(8-13(12)19)15(20)14(16(21)22)17-9-10-4-2-1-3-5-10/h1-8,14-15,17-20H,9H2,(H,21,22)