[(2S)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-fluoranylbenzoate

Systemtic Name: [(2S)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-fluoranylbenzoate Openeye Name: [(1S)-2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [(2S)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [(1S)-2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22FNO3 MolecularWeight: 343.391983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C20H22FNO3/c1-13(25-19(24)14-6-5-7-16(21)12-14)18(23)22-17-10-8-15(9-11-17)20(2,3)4/h5-13H,1-4H3,(H,22,23)/t13-/m0/s1