[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H20FNO4 MolecularWeight: 297.322003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC(=C(C=C1)OC)F

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C15H20FNO4/c1-9(2)8-17-14(18)10(3)21-15(19)11-5-6-13(20-4)12(16)7-11/h5-7,9-10H,8H2,1-4H3,(H,17,18)/t10-/m0/s1