(2R)-3-(4-hydroxyphenyl)-2-[[(2R)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]propanoate

Systemtic Name: (2R)-3-(4-hydroxyphenyl)-2-[[(2R)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]propanoate Openeye Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxy-propyl]ammonio]-3-(4-hydroxyphenyl)propanoate CAS Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]ammonio]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxy-propyl]ammonio]-3-(4-hydroxyphenyl)propionate Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[NH2+]C(CC2=CC=C(C=C2)O)C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OC[C@@H](C[NH2+][C@H](CC2=CC=C(C=C2)O)C(=O)[O-])O

InChI

InChI=1S/C18H21NO5/c20-14-8-6-13(7-9-14)10-17(18(22)23)19-11-15(21)12-24-16-4-2-1-3-5-16/h1-9,15,17,19-21H,10-12H2,(H,22,23)/t15-,17-/m1/s1