3-[2-ethylbutanoyl-(3-fluorophenyl)amino]propanoic acid

Systemtic Name: 3-[2-ethylbutanoyl-(3-fluorophenyl)amino]propanoic acid Openeye Name: 3-[N-(2-ethylbutanoyl)-3-fluoro-anilino]propanoic acid CAS Name: 3-(N-(2-ethyl-1-oxobutyl)-3-fluoroanilino)propanoic acid IUPAC Name: 3-[N-(2-ethylbutanoyl)-3-fluoroanilino]propanoic acid Traditional Name: 3-[N-(2-ethylbutanoyl)-3-fluoro-anilino]propionic acid Formula: C15H20FNO3 MolecularWeight: 281.322603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N(CCC(=O)O)C1=CC(=CC=C1)F

Isomeric SMILES

CCC(CC)C(=O)N(CCC(=O)O)C1=CC(=CC=C1)F

InChI

InChI=1S/C15H20FNO3/c1-3-11(4-2)15(20)17(9-8-14(18)19)13-7-5-6-12(16)10-13/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,18,19)