[3-[[2-methyl-1-(2-phenylethanoylamino)propan-2-yl]amino]-2-oxidanyl-propyl] 2-fluoranylbenzoate

Systemtic Name: [3-[[2-methyl-1-(2-phenylethanoylamino)propan-2-yl]amino]-2-oxidanyl-propyl] 2-fluoranylbenzoate Openeye Name: [3-[[1,1-dimethyl-2-[(2-phenylacetyl)amino]ethyl]amino]-2-hydroxy-propyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-hydroxy-3-[[2-methyl-1-[(1-oxo-2-phenylethyl)amino]propan-2-yl]amino]propyl] ester IUPAC Name: [2-hydroxy-3-[[2-methyl-1-[(2-phenylacetyl)amino]propan-2-yl]amino]propyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [3-[[1,1-dimethyl-2-[(2-phenylacetyl)amino]ethyl]amino]-2-hydroxy-propyl] ester Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CC1=CC=CC=C1)NCC(COC(=O)C2=CC=CC=C2F)O

Isomeric SMILES

CC(C)(CNC(=O)CC1=CC=CC=C1)NCC(COC(=O)C2=CC=CC=C2F)O

InChI

InChI=1S/C22H27FN2O4/c1-22(2,15-24-20(27)12-16-8-4-3-5-9-16)25-13-17(26)14-29-21(28)18-10-6-7-11-19(18)23/h3-11,17,25-26H,12-15H2,1-2H3,(H,24,27)