[(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-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] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [(1S)-2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21ClFNO3 MolecularWeight: 377.837043

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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=C(C=C(C=C2)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFNO3/c1-11(2)15-7-5-6-12(3)18(15)23-19(24)13(4)26-20(25)16-9-8-14(21)10-17(16)22/h5-11,13H,1-4H3,(H,23,24)/t13-/m0/s1