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

Systemtic Name: [3-[[1-(cyclohexylcarbonylamino)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propyl] 2-fluoranylbenzoate Openeye Name: [3-[[2-(cyclohexanecarbonylamino)-1,1-dimethyl-ethyl]amino]-2-hydroxy-propyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [3-[[1-[[cyclohexyl(oxo)methyl]amino]-2-methylpropan-2-yl]amino]-2-hydroxypropyl] ester IUPAC Name: [3-[[1-(cyclohexanecarbonylamino)-2-methylpropan-2-yl]amino]-2-hydroxypropyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [3-[[2-(cyclohexanecarbonylamino)-1,1-dimethyl-ethyl]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)NCC(COC(=O)C2=CC=CC=C2F)O

Isomeric SMILES

CC(C)(CNC(=O)C1CCCCC1)NCC(COC(=O)C2=CC=CC=C2F)O

InChI

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