2-oxidanylpropyl 2-fluoranyl-3-[2-(2-methylpropanoylamino)ethylamino]benzoate hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC1=CC=CC(=C1F)C(=O)OCC(C)O.Cl

Isomeric SMILES

CC(C)C(=O)NCCNC1=CC=CC(=C1F)C(=O)OCC(C)O.Cl

InChI

InChI=1S/C16H23FN2O4.ClH/c1-10(2)15(21)19-8-7-18-13-6-4-5-12(14(13)17)16(22)23-9-11(3)20;/h4-6,10-11,18,20H,7-9H2,1-3H3,(H,19,21);1H