2-[4-[3,4-bis(oxidanyl)pyrrolidin-1-yl]phenyl]-3-chloranyl-propanoic acid

Systemtic Name: 2-[4-[3,4-bis(oxidanyl)pyrrolidin-1-yl]phenyl]-3-chloranyl-propanoic acid Openeye Name: 3-chloro-2-[4-(3,4-dihydroxypyrrolidin-1-yl)phenyl]propanoic acid CAS Name: 3-chloro-2-[4-(3,4-dihydroxy-1-pyrrolidinyl)phenyl]propanoic acid IUPAC Name: 3-chloro-2-[4-(3,4-dihydroxypyrrolidin-1-yl)phenyl]propanoic acid Traditional Name: 3-chloro-2-[4-(3,4-dihydroxypyrrolidino)phenyl]propionic acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1C2=CC=C(C=C2)C(CCl)C(=O)O)O)O

Isomeric SMILES

C1C(C(CN1C2=CC=C(C=C2)C(CCl)C(=O)O)O)O

InChI

InChI=1S/C13H16ClNO4/c14-5-10(13(18)19)8-1-3-9(4-2-8)15-6-11(16)12(17)7-15/h1-4,10-12,16-17H,5-7H2,(H,18,19)