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

Systemtic Name: 2-oxidanylpropyl 2-fluoranyl-3-[2-(2-phenylethanoylamino)ethylamino]benzoate hydrochloride Openeye Name: 2-hydroxypropyl 2-fluoro-3-[2-[(2-phenylacetyl)amino]ethylamino]benzoate hydrochloride CAS Name: 2-fluoro-3-[2-[(1-oxo-2-phenylethyl)amino]ethylamino]benzoic acid 2-hydroxypropyl ester hydrochloride IUPAC Name: 2-hydroxypropyl 2-fluoro-3-[2-[(2-phenylacetyl)amino]ethylamino]benzoate hydrochloride Traditional Name: 2-fluoro-3-[2-[(2-phenylacetyl)amino]ethylamino]benzoic acid 2-hydroxypropyl ester hydrochloride Formula: C20H24ClFN2O4 MolecularWeight: 410.866963

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=C(C(=CC=C1)NCCNC(=O)CC2=CC=CC=C2)F)O.Cl

Isomeric SMILES

CC(COC(=O)C1=C(C(=CC=C1)NCCNC(=O)CC2=CC=CC=C2)F)O.Cl

InChI

InChI=1S/C20H23FN2O4.ClH/c1-14(24)13-27-20(26)16-8-5-9-17(19(16)21)22-10-11-23-18(25)12-15-6-3-2-4-7-15;/h2-9,14,22,24H,10-13H2,1H3,(H,23,25);1H