2-oxidanylpropyl 3-[[1-(cyclohexylcarbonylamino)-2-methyl-propan-2-yl]amino]-2-fluoranyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=C(C(=CC=C1)NC(C)(C)CNC(=O)C2CCCCC2)F)O

Isomeric SMILES

CC(COC(=O)C1=C(C(=CC=C1)NC(C)(C)CNC(=O)C2CCCCC2)F)O

InChI

InChI=1S/C21H31FN2O4/c1-14(25)12-28-20(27)16-10-7-11-17(18(16)22)24-21(2,3)13-23-19(26)15-8-5-4-6-9-15/h7,10-11,14-15,24-25H,4-6,8-9,12-13H2,1-3H3,(H,23,26)