4-[[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]amino]butanoic acid

Systemtic Name: 4-[[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]amino]butanoic acid Openeye Name: 4-[[3-(2-chlorophenoxy)-2-hydroxy-propyl]amino]butanoic acid CAS Name: 4-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butanoic acid IUPAC Name: 4-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butanoic acid Traditional Name: 4-[[3-(2-chlorophenoxy)-2-hydroxy-propyl]amino]butyric acid Formula: C13H18ClNO4 MolecularWeight: 287.73932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC(CNCCCC(=O)O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)OCC(CNCCCC(=O)O)O)Cl

InChI

InChI=1S/C13H18ClNO4/c14-11-4-1-2-5-12(11)19-9-10(16)8-15-7-3-6-13(17)18/h1-2,4-5,10,15-16H,3,6-9H2,(H,17,18)