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

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-fluoranylbenzoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18FNO3 MolecularWeight: 315.338823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C18H18FNO3/c1-3-13-8-10-14(11-9-13)20-17(21)12(2)23-18(22)15-6-4-5-7-16(15)19/h4-12H,3H2,1-2H3,(H,20,21)/t12-/m0/s1