[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-oxidanylbenzoate

Systemtic Name: [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-oxidanylbenzoate Openeye Name: [(1S)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C18H18FNO4 MolecularWeight: 331.338223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=CC(=CC=C2)O

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=CC(=CC=C2)O

InChI

InChI=1S/C18H18FNO4/c1-12(24-18(23)14-3-2-4-16(21)11-14)17(22)20-10-9-13-5-7-15(19)8-6-13/h2-8,11-12,21H,9-10H2,1H3,(H,20,22)/t12-/m0/s1