[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(furan-2-yl)propanoate

Systemtic Name: [(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(furan-2-yl)propanoate Openeye Name: [(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(2-furyl)propanoate CAS Name: 3-(2-furanyl)propanoic acid [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-(furan-2-yl)propanoate Traditional Name: 3-(2-furyl)propionic acid [(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H18FNO4 MolecularWeight: 319.327523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CCC2=CC=CO2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)CCC2=CC=CO2)F

InChI

InChI=1S/C17H18FNO4/c1-11-5-6-13(10-15(11)18)19-17(21)12(2)23-16(20)8-7-14-4-3-9-22-14/h3-6,9-10,12H,7-8H2,1-2H3,(H,19,21)/t12-/m0/s1