2-[[(2S)-2-ethylhexanoyl]amino]-4-fluoranyl-benzoate

Systemtic Name: 2-[[(2S)-2-ethylhexanoyl]amino]-4-fluoranyl-benzoate Openeye Name: 2-[[(2S)-2-ethylhexanoyl]amino]-4-fluoro-benzoate CAS Name: 2-[[(2S)-2-ethyl-1-oxohexyl]amino]-4-fluorobenzoate IUPAC Name: 2-[[(2S)-2-ethylhexanoyl]amino]-4-fluorobenzoate Traditional Name: 2-[[(2S)-2-ethylhexanoyl]amino]-4-fluoro-benzoate Formula: C15H19FNO3- MolecularWeight: 280.314663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C=CC(=C1)F)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=C(C=CC(=C1)F)C(=O)[O-]

InChI

InChI=1S/C15H20FNO3/c1-3-5-6-10(4-2)14(18)17-13-9-11(16)7-8-12(13)15(19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H,19,20)/p-1/t10-/m0/s1