2-azanyl-3-[4-fluoranyl-2-[2-hydroxyethyl(methyl)amino]-3-pyridin-3-yl-phenyl]-4-oxidanylidene-oxetane-3-carboxylic acid

Systemtic Name: 2-azanyl-3-[4-fluoranyl-2-[2-hydroxyethyl(methyl)amino]-3-pyridin-3-yl-phenyl]-4-oxidanylidene-oxetane-3-carboxylic acid Openeye Name: 2-amino-3-[4-fluoro-2-[2-hydroxyethyl(methyl)amino]-3-(3-pyridyl)phenyl]-4-oxo-oxetane-3-carboxylic acid CAS Name: 2-amino-3-[4-fluoro-2-[2-hydroxyethyl(methyl)amino]-3-(3-pyridinyl)phenyl]-4-oxo-3-oxetanecarboxylic acid IUPAC Name: 2-amino-3-[4-fluoro-2-[2-hydroxyethyl(methyl)amino]-3-pyridin-3-ylphenyl]-4-oxooxetane-3-carboxylic acid Traditional Name: 2-amino-3-[4-fluoro-2-[2-hydroxyethyl(methyl)amino]-3-(3-pyridyl)phenyl]-4-keto-oxetane-3-carboxylic acid Formula: C18H18FN3O5 MolecularWeight: 375.351023

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=C(C=CC(=C1C2=CN=CC=C2)F)C3(C(OC3=O)N)C(=O)O

Isomeric SMILES

CN(CCO)C1=C(C=CC(=C1C2=CN=CC=C2)F)C3(C(OC3=O)N)C(=O)O

InChI

InChI=1S/C18H18FN3O5/c1-22(7-8-23)14-11(18(16(24)25)15(20)27-17(18)26)4-5-12(19)13(14)10-3-2-6-21-9-10/h2-6,9,15,23H,7-8,20H2,1H3,(H,24,25)