[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15FN2O3 MolecularWeight: 326.321703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC(=C2)C#N)F

InChI

InChI=1S/C18H15FN2O3/c1-11-6-7-14(9-16(11)19)18(23)24-12(2)17(22)21-15-5-3-4-13(8-15)10-20/h3-9,12H,1-2H3,(H,21,22)/t12-/m1/s1