(3-azanyl-2-oxidanyl-propyl) 2-fluoranyl-3-[2-(2-methylpropanoylamino)ethyl]benzoate hydrochloride

Systemtic Name: (3-azanyl-2-oxidanyl-propyl) 2-fluoranyl-3-[2-(2-methylpropanoylamino)ethyl]benzoate hydrochloride Openeye Name: (3-amino-2-hydroxy-propyl) 2-fluoro-3-[2-(2-methylpropanoylamino)ethyl]benzoate hydrochloride CAS Name: 2-fluoro-3-[2-[(2-methyl-1-oxopropyl)amino]ethyl]benzoic acid (3-amino-2-hydroxypropyl) ester hydrochloride IUPAC Name: (3-amino-2-hydroxypropyl) 2-fluoro-3-[2-(2-methylpropanoylamino)ethyl]benzoate hydrochloride Traditional Name: 2-fluoro-3-[2-(isobutyrylamino)ethyl]benzoic acid (3-amino-2-hydroxy-propyl) ester hydrochloride Formula: C16H24ClFN2O4 MolecularWeight: 362.824163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCC1=CC=CC(=C1F)C(=O)OCC(CN)O.Cl

Isomeric SMILES

CC(C)C(=O)NCCC1=CC=CC(=C1F)C(=O)OCC(CN)O.Cl

InChI

InChI=1S/C16H23FN2O4.ClH/c1-10(2)15(21)19-7-6-11-4-3-5-13(14(11)17)16(22)23-9-12(20)8-18;/h3-5,10,12,20H,6-9,18H2,1-2H3,(H,19,21);1H