[(1S)-2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 5-[(4-methoxyphenoxy)methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: [(1S)-2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 5-[(4-methoxyphenoxy)methyl]-2-methyl-furan-3-carboxylate Openeye Name: [(1S)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl] 5-[(4-methoxyphenoxy)methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(4-methoxyphenoxy)methyl]-2-methyl-3-furancarboxylic acid [(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(4-methoxyphenoxy)methyl]-2-methyl-furan-3-carboxylic acid [(1S)-2-amino-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C22H20FNO6 MolecularWeight: 413.395703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC2=CC=C(C=C2)OC)C(=O)OC(C3=CC=C(C=C3)F)C(=O)N

Isomeric SMILES

CC1=C(C=C(O1)COC2=CC=C(C=C2)OC)C(=O)O[C@@H](C3=CC=C(C=C3)F)C(=O)N

InChI

InChI=1S/C22H20FNO6/c1-13-19(11-18(29-13)12-28-17-9-7-16(27-2)8-10-17)22(26)30-20(21(24)25)14-3-5-15(23)6-4-14/h3-11,20H,12H2,1-2H3,(H2,24,25)/t20-/m0/s1