(2S)-1-[[3-(4-fluorophenyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[[3-(4-fluorophenyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[[3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[[3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[[3-(4-fluorophenyl)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl]proline Formula: C22H20FNO5 MolecularWeight: 397.396303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCC3C(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCC[C@H]3C(=O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FNO5/c1-12-19(13-4-6-14(23)7-5-13)20(26)15-8-9-18(25)16(21(15)29-12)11-24-10-2-3-17(24)22(27)28/h4-9,17,25H,2-3,10-11H2,1H3,(H,27,28)/t17-/m0/s1