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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2F)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC=CC=C2F)C

InChI

InChI=1S/C18H18FNO3/c1-11-8-9-16(12(2)10-11)20-17(21)13(3)23-18(22)14-6-4-5-7-15(14)19/h4-10,13H,1-3H3,(H,20,21)/t13-/m0/s1