[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 3-fluoranylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 3-fluoranylbenzoate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C19H20FNO3 MolecularWeight: 329.365403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C19H20FNO3/c1-12(2)14-7-9-17(10-8-14)21-18(22)13(3)24-19(23)15-5-4-6-16(20)11-15/h4-13H,1-3H3,(H,21,22)/t13-/m0/s1