4-[2-[[(2R)-2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]ethoxy]benzoic acid

Systemtic Name: 4-[2-[[(2R)-2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]ethoxy]benzoic acid Openeye Name: 4-[2-[[(2R)-2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]ethoxy]benzoic acid CAS Name: 4-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]benzoic acid IUPAC Name: 4-[2-[[(2R)-2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethoxy]benzoic acid Traditional Name: 4-[2-[[(2R)-2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]ethoxy]benzoic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCNCC(C2=CN=C(C=C2)N)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCNC[C@@H](C2=CN=C(C=C2)N)O

InChI

InChI=1S/C16H19N3O4/c17-15-6-3-12(9-19-15)14(20)10-18-7-8-23-13-4-1-11(2-5-13)16(21)22/h1-6,9,14,18,20H,7-8,10H2,(H2,17,19)(H,21,22)/t14-/m0/s1