2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 3-oxidanyl-2-oxidanylidene-3-phenyl-propanoic acid

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 3-oxidanyl-2-oxidanylidene-3-phenyl-propanoic acid Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 3-hydroxy-2-oxo-3-phenyl-propanoic acid CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 3-hydroxy-2-oxo-3-phenylpropanoic acid IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 3-hydroxy-2-oxo-3-phenylpropanoic acid Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 3-hydroxy-2-keto-3-phenyl-propionic acid Formula: C18H19NO7 MolecularWeight: 361.34596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C(=O)O)O.C1=CC(=CC=C1CC(C(=O)O)N)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C(=O)O)O.C1=CC(=CC=C1CC(C(=O)O)N)O

InChI

InChI=1S/C9H11NO3.C9H8O4/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-4,8,11H,5,10H2,(H,12,13);1-5,7,10H,(H,12,13)