(3S)-3-azanyl-2-oxidanyl-4-[4-(4-phenoxyphenoxy)phenyl]butanoic acid hydrochloride

Systemtic Name: (3S)-3-azanyl-2-oxidanyl-4-[4-(4-phenoxyphenoxy)phenyl]butanoic acid hydrochloride Openeye Name: (3S)-3-amino-2-hydroxy-4-[4-(4-phenoxyphenoxy)phenyl]butanoic acid hydrochloride CAS Name: (3S)-3-amino-2-hydroxy-4-[4-(4-phenoxyphenoxy)phenyl]butanoic acid hydrochloride IUPAC Name: (3S)-3-amino-2-hydroxy-4-[4-(4-phenoxyphenoxy)phenyl]butanoic acid hydrochloride Traditional Name: (3S)-3-amino-2-hydroxy-4-[4-(4-phenoxyphenoxy)phenyl]butyric acid hydrochloride Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=C(C=C3)CC(C(C(=O)O)O)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=C(C=C3)C[C@@H](C(C(=O)O)O)N.Cl

InChI

InChI=1S/C22H21NO5.ClH/c23-20(21(24)22(25)26)14-15-6-8-17(9-7-15)28-19-12-10-18(11-13-19)27-16-4-2-1-3-5-16;/h1-13,20-21,24H,14,23H2,(H,25,26);1H/t20-,21?;/m0./s1