1-[[3-(4-fluoranylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-4a,8a-dihydrochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[3-(4-fluoranylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-4a,8a-dihydrochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[3-(4-fluorophenoxy)-7-hydroxy-2-methyl-4-oxo-4a,8a-dihydrochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[3-(4-fluorophenoxy)-7-hydroxy-2-methyl-4-oxo-4a,8a-dihydro-1-benzopyran-8-yl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[3-(4-fluorophenoxy)-7-hydroxy-2-methyl-4-oxo-4a,8a-dihydrochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[3-(4-fluorophenoxy)-7-hydroxy-4-keto-2-methyl-4a,8a-dihydrochromen-8-yl]methyl]proline Formula: C22H22FNO6 MolecularWeight: 415.411583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2C=CC(=C(C2O1)CN3CCCC3C(=O)O)O)OC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=O)C2C=CC(=C(C2O1)CN3CCCC3C(=O)O)O)OC4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FNO6/c1-12-20(30-14-6-4-13(23)5-7-14)19(26)15-8-9-18(25)16(21(15)29-12)11-24-10-2-3-17(24)22(27)28/h4-9,15,17,21,25H,2-3,10-11H2,1H3,(H,27,28)