[(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-fluoranylbenzoate

Systemtic Name: [(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-fluoranylbenzoate Openeye Name: [(1S)-2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [(1S)-2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22FNO3 MolecularWeight: 343.391983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FNO3/c1-12(2)15-10-7-8-13(3)18(15)22-19(23)14(4)25-20(24)16-9-5-6-11-17(16)21/h5-12,14H,1-4H3,(H,22,23)/t14-/m0/s1