(3-azanyl-2-oxidanyl-propyl) 3-[1-(cyclohexylcarbonylamino)-2-methyl-propan-2-yl]-2-fluoranyl-benzoate

Systemtic Name: (3-azanyl-2-oxidanyl-propyl) 3-[1-(cyclohexylcarbonylamino)-2-methyl-propan-2-yl]-2-fluoranyl-benzoate Openeye Name: (3-amino-2-hydroxy-propyl) 3-[2-(cyclohexanecarbonylamino)-1,1-dimethyl-ethyl]-2-fluoro-benzoate CAS Name: 3-[1-[[cyclohexyl(oxo)methyl]amino]-2-methylpropan-2-yl]-2-fluorobenzoic acid (3-amino-2-hydroxypropyl) ester IUPAC Name: (3-amino-2-hydroxypropyl) 3-[1-(cyclohexanecarbonylamino)-2-methylpropan-2-yl]-2-fluorobenzoate Traditional Name: 3-[2-(cyclohexanecarbonylamino)-1,1-dimethyl-ethyl]-2-fluoro-benzoic acid (3-amino-2-hydroxy-propyl) ester Formula: C21H31FN2O4 MolecularWeight: 394.480243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCCCC1)C2=CC=CC(=C2F)C(=O)OCC(CN)O

Isomeric SMILES

CC(C)(CNC(=O)C1CCCCC1)C2=CC=CC(=C2F)C(=O)OCC(CN)O

InChI

InChI=1S/C21H31FN2O4/c1-21(2,13-24-19(26)14-7-4-3-5-8-14)17-10-6-9-16(18(17)22)20(27)28-12-15(25)11-23/h6,9-10,14-15,25H,3-5,7-8,11-13,23H2,1-2H3,(H,24,26)