4-[4-[3-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]propyl]phenyl]benzoic acid

Systemtic Name: 4-[4-[3-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]propyl]phenyl]benzoic acid Openeye Name: 4-[4-[3-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]benzoic acid CAS Name: 4-[4-[3-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]propyl]phenyl]benzoic acid IUPAC Name: 4-[4-[3-[(2-hydroxy-2-pyridin-3-ylethyl)amino]propyl]phenyl]benzoic acid Traditional Name: 4-[4-[3-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]propyl]phenyl]benzoic acid Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CNCCCC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC(=CN=C1)C(CNCCCC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C23H24N2O3/c26-22(21-4-2-14-24-15-21)16-25-13-1-3-17-5-7-18(8-6-17)19-9-11-20(12-10-19)23(27)28/h2,4-12,14-15,22,25-26H,1,3,13,16H2,(H,27,28)