4-[2-[[2-(6-chloranylpyridin-2-yl)-2-oxidanyl-ethyl]amino]propyl]benzoic acid

Systemtic Name: 4-[2-[[2-(6-chloranylpyridin-2-yl)-2-oxidanyl-ethyl]amino]propyl]benzoic acid Openeye Name: 4-[2-[[2-(6-chloro-2-pyridyl)-2-hydroxy-ethyl]amino]propyl]benzoic acid CAS Name: 4-[2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]amino]propyl]benzoic acid IUPAC Name: 4-[2-[[2-(6-chloropyridin-2-yl)-2-hydroxyethyl]amino]propyl]benzoic acid Traditional Name: 4-[2-[[2-(6-chloro-2-pyridyl)-2-hydroxy-ethyl]amino]propyl]benzoic acid Formula: C17H19ClN2O3 MolecularWeight: 334.79736

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)O)NCC(C2=NC(=CC=C2)Cl)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)O)NCC(C2=NC(=CC=C2)Cl)O

InChI

InChI=1S/C17H19ClN2O3/c1-11(9-12-5-7-13(8-6-12)17(22)23)19-10-15(21)14-3-2-4-16(18)20-14/h2-8,11,15,19,21H,9-10H2,1H3,(H,22,23)