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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCCC2=CC=CC(=C2F)C(=O)OCC(CN)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCCC2=CC=CC(=C2F)C(=O)OCC(CN)O.Cl

InChI

InChI=1S/C20H23FN2O4.ClH/c21-19-15(7-4-8-17(19)20(26)27-13-16(24)12-22)9-10-23-18(25)11-14-5-2-1-3-6-14;/h1-8,16,24H,9-13,22H2,(H,23,25);1H