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

Systemtic Name: 2-[4-[2-[[(2R)-2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]ethoxy]phenyl]benzoic acid Openeye Name: 2-[4-[2-[[(2R)-2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]ethoxy]phenyl]benzoic acid CAS Name: 2-[4-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]benzoic acid IUPAC Name: 2-[4-[2-[[(2R)-2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethoxy]phenyl]benzoic acid Traditional Name: 2-[4-[2-[[(2R)-2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]ethoxy]phenyl]benzoic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)OCCNCC(C3=CN=C(C=C3)N)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)OCCNC[C@@H](C3=CN=C(C=C3)N)O)C(=O)O

InChI

InChI=1S/C22H23N3O4/c23-21-10-7-16(13-25-21)20(26)14-24-11-12-29-17-8-5-15(6-9-17)18-3-1-2-4-19(18)22(27)28/h1-10,13,20,24,26H,11-12,14H2,(H2,23,25)(H,27,28)/t20-/m0/s1