[(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-fluoranyl-4-methoxy-benzoate

Systemtic Name: [(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-fluoranyl-4-methoxy-benzoate Openeye Name: [(1R)-2-[benzyl(tert-butyl)amino]-1-methyl-2-oxo-ethyl] 2-fluoro-4-methoxy-benzoate CAS Name: 2-fluoro-4-methoxybenzoic acid [(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[benzyl(tert-butyl)amino]-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate Traditional Name: 2-fluoro-4-methoxy-benzoic acid [(1R)-2-[benzyl(tert-butyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H26FNO4 MolecularWeight: 387.444543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO4/c1-15(28-21(26)18-12-11-17(27-5)13-19(18)23)20(25)24(22(2,3)4)14-16-9-7-6-8-10-16/h6-13,15H,14H2,1-5H3/t15-/m1/s1