3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid dihydrate

Systemtic Name: 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid dihydrate Openeye Name: 2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid dihydrate CAS Name: 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid dihydrate IUPAC Name: 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid dihydrate Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propionic acid dihydrate Formula: C17H21NO7 MolecularWeight: 351.35114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O.O.O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O.O.O

InChI

InChI=1S/C17H17NO5.2H2O/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13;;/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21);2*1H2