2-azanyl-3-[3,4-bis(phenylmethoxy)phenyl]-3-oxidanyl-propanoic acid hydrate

Systemtic Name: 2-azanyl-3-[3,4-bis(phenylmethoxy)phenyl]-3-oxidanyl-propanoic acid hydrate Openeye Name: 2-amino-3-(3,4-dibenzyloxyphenyl)-3-hydroxy-propanoic acid hydrate CAS Name: 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid hydrate IUPAC Name: 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid hydrate Traditional Name: 2-amino-3-(3,4-dibenzoxyphenyl)-3-hydroxy-propionic acid hydrate Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(C(C(=O)O)N)O)OCC3=CC=CC=C3.O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(C(C(=O)O)N)O)OCC3=CC=CC=C3.O

InChI

InChI=1S/C23H23NO5.H2O/c24-21(23(26)27)22(25)18-11-12-19(28-14-16-7-3-1-4-8-16)20(13-18)29-15-17-9-5-2-6-10-17;/h1-13,21-22,25H,14-15,24H2,(H,26,27);1H2