3-[4-[4-(2-oxidanylbutylamino)piperidin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-(2-oxidanylbutylamino)piperidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4-(2-hydroxybutylamino)-1-piperidyl]phenyl]propanoic acid CAS Name: 3-[4-[4-(2-hydroxybutylamino)-1-piperidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(2-hydroxybutylamino)piperidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[4-(2-hydroxybutylamino)piperidino]phenyl]propionic acid Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1CCN(CC1)C2=CC=C(C=C2)CCC(=O)O)O

Isomeric SMILES

CCC(CNC1CCN(CC1)C2=CC=C(C=C2)CCC(=O)O)O

InChI

InChI=1S/C18H28N2O3/c1-2-17(21)13-19-15-9-11-20(12-10-15)16-6-3-14(4-7-16)5-8-18(22)23/h3-4,6-7,15,17,19,21H,2,5,8-13H2,1H3,(H,22,23)