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

Systemtic Name: 2-[4-[3,4-bis(oxidanyl)piperidin-1-yl]-3-chloranyl-phenyl]ethanoic acid Openeye Name: 2-[3-chloro-4-(3,4-dihydroxy-1-piperidyl)phenyl]acetic acid CAS Name: 2-[3-chloro-4-(3,4-dihydroxy-1-piperidinyl)phenyl]acetic acid IUPAC Name: 2-[3-chloro-4-(3,4-dihydroxypiperidin-1-yl)phenyl]acetic acid Traditional Name: 2-[3-chloro-4-(3,4-dihydroxypiperidino)phenyl]acetic acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1O)O)C2=C(C=C(C=C2)CC(=O)O)Cl

Isomeric SMILES

C1CN(CC(C1O)O)C2=C(C=C(C=C2)CC(=O)O)Cl

InChI

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