methyl 2-[4-[[(2-ethyl-2-oxidanyl-butanoyl)amino]methyl]-3-fluoranyl-phenyl]-6-fluoranyl-benzoate

Systemtic Name: methyl 2-[4-[[(2-ethyl-2-oxidanyl-butanoyl)amino]methyl]-3-fluoranyl-phenyl]-6-fluoranyl-benzoate Openeye Name: methyl 2-[4-[[(2-ethyl-2-hydroxy-butanoyl)amino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoate CAS Name: 2-[4-[[(2-ethyl-2-hydroxy-1-oxobutyl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(2-ethyl-2-hydroxybutanoyl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoate Traditional Name: 2-[4-[[(2-ethyl-2-hydroxy-butanoyl)amino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoic acid methyl ester Formula: C21H23F2NO4 MolecularWeight: 391.408426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NCC1=C(C=C(C=C1)C2=C(C(=CC=C2)F)C(=O)OC)F)O

Isomeric SMILES

CCC(CC)(C(=O)NCC1=C(C=C(C=C1)C2=C(C(=CC=C2)F)C(=O)OC)F)O

InChI

InChI=1S/C21H23F2NO4/c1-4-21(27,5-2)20(26)24-12-14-10-9-13(11-17(14)23)15-7-6-8-16(22)18(15)19(25)28-3/h6-11,27H,4-5,12H2,1-3H3,(H,24,26)