[3-[1-(ethoxycarbonylamino)ethylamino]-2-methyl-3-oxidanyl-butan-2-yl] 2-fluoranylbenzoate hydrochloride

Systemtic Name: [3-[1-(ethoxycarbonylamino)ethylamino]-2-methyl-3-oxidanyl-butan-2-yl] 2-fluoranylbenzoate hydrochloride Openeye Name: [2-[1-(ethoxycarbonylamino)ethylamino]-2-hydroxy-1,1-dimethyl-propyl] 2-fluorobenzoate hydrochloride CAS Name: 2-fluorobenzoic acid [3-[1-(ethoxycarbonylamino)ethylamino]-3-hydroxy-2-methylbutan-2-yl] ester hydrochloride IUPAC Name: [3-[1-(ethoxycarbonylamino)ethylamino]-3-hydroxy-2-methylbutan-2-yl] 2-fluorobenzoate hydrochloride Traditional Name: 2-fluorobenzoic acid [2-[1-(carbethoxyamino)ethylamino]-2-hydroxy-1,1-dimethyl-propyl] ester hydrochloride Formula: C17H26ClFN2O5 MolecularWeight: 392.850143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C)NC(C)(C(C)(C)OC(=O)C1=CC=CC=C1F)O.Cl

Isomeric SMILES

CCOC(=O)NC(C)NC(C)(C(C)(C)OC(=O)C1=CC=CC=C1F)O.Cl

InChI

InChI=1S/C17H25FN2O5.ClH/c1-6-24-15(22)19-11(2)20-17(5,23)16(3,4)25-14(21)12-9-7-8-10-13(12)18;/h7-11,20,23H,6H2,1-5H3,(H,19,22);1H