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

Systemtic Name: [3-[[2-methyl-1-(phenylcarbamoylamino)propan-2-yl]amino]-2-oxidanyl-propyl] 2-fluoranylbenzoate Openeye Name: [3-[[1,1-dimethyl-2-(phenylcarbamoylamino)ethyl]amino]-2-hydroxy-propyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [3-[[1-[[anilino(oxo)methyl]amino]-2-methylpropan-2-yl]amino]-2-hydroxypropyl] ester IUPAC Name: [2-hydroxy-3-[[2-methyl-1-(phenylcarbamoylamino)propan-2-yl]amino]propyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [3-[[1,1-dimethyl-2-(phenylcarbamoylamino)ethyl]amino]-2-hydroxy-propyl] ester Formula: C21H26FN3O4 MolecularWeight: 403.447243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)NC1=CC=CC=C1)NCC(COC(=O)C2=CC=CC=C2F)O

Isomeric SMILES

CC(C)(CNC(=O)NC1=CC=CC=C1)NCC(COC(=O)C2=CC=CC=C2F)O

InChI

InChI=1S/C21H26FN3O4/c1-21(2,14-23-20(28)25-15-8-4-3-5-9-15)24-12-16(26)13-29-19(27)17-10-6-7-11-18(17)22/h3-11,16,24,26H,12-14H2,1-2H3,(H2,23,25,28)