[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-fluoro-3-methyl-2-benzofurancarboxylic acid [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-fluoro-3-methyl-coumarilic acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C22H22FNO6 MolecularWeight: 415.411583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)OC(C)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)O[C@H](C)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H22FNO6/c1-12-16-10-15(23)6-8-17(16)30-20(12)22(26)29-13(2)21(25)24-11-14-5-7-18(27-3)19(9-14)28-4/h5-10,13H,11H2,1-4H3,(H,24,25)/t13-/m1/s1