[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-fluorophenyl)amino]benzoate

Systemtic Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-fluorophenyl)amino]benzoate Openeye Name: [(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 2-(4-fluoroanilino)benzoate CAS Name: 2-(4-fluoroanilino)benzoic acid [(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-fluoroanilino)benzoate Traditional Name: 2-(4-fluoroanilino)benzoic acid [(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H19FN2O4 MolecularWeight: 382.384963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)OC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN2O4/c1-14(20(25)23-13-17-5-4-12-27-17)28-21(26)18-6-2-3-7-19(18)24-16-10-8-15(22)9-11-16/h2-12,14,24H,13H2,1H3,(H,23,25)/t14-/m0/s1