5-[2-[4-(3-fluoranylpyridin-2-yl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[2-[4-(3-fluoranylpyridin-2-yl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-methoxy-benzoic acid Openeye Name: 5-[2-[4-(3-fluoro-2-pyridyl)piperazin-1-yl]-1-hydroxy-ethyl]-2-methoxy-benzoic acid CAS Name: 5-[2-[4-(3-fluoro-2-pyridinyl)-1-piperazinyl]-1-hydroxyethyl]-2-methoxybenzoic acid IUPAC Name: 5-[2-[4-(3-fluoropyridin-2-yl)piperazin-1-yl]-1-hydroxyethyl]-2-methoxybenzoic acid Traditional Name: 5-[2-[4-(3-fluoro-2-pyridyl)piperazino]-1-hydroxy-ethyl]-2-methoxy-benzoic acid Formula: C19H22FN3O4 MolecularWeight: 375.394083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2CCN(CC2)C3=C(C=CC=N3)F)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(CN2CCN(CC2)C3=C(C=CC=N3)F)O)C(=O)O

InChI

InChI=1S/C19H22FN3O4/c1-27-17-5-4-13(11-14(17)19(25)26)16(24)12-22-7-9-23(10-8-22)18-15(20)3-2-6-21-18/h2-6,11,16,24H,7-10,12H2,1H3,(H,25,26)