(3R)-3-[2,3-bis(fluoranyl)-8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-3-oxidanyl-pentanoic acid

Systemtic Name: (3R)-3-[2,3-bis(fluoranyl)-8-(hydroxymethyl)-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-7-yl]-3-oxidanyl-pentanoic acid Openeye Name: (3R)-3-[2,3-difluoro-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-3-hydroxy-pentanoic acid CAS Name: (3R)-3-[2,3-difluoro-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-3-hydroxypentanoic acid IUPAC Name: (3R)-3-[2,3-difluoro-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-3-hydroxypentanoic acid Traditional Name: (3R)-3-(2,3-difluoro-9-keto-8-methylol-11H-indolizino[1,2-b]quinolin-7-yl)-3-hydroxy-valeric acid Formula: C21H18F2N2O5 MolecularWeight: 416.374826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)(C1=C(C(=O)N2CC3=C(C2=C1)N=C4C=C(C(=CC4=C3)F)F)CO)O

Isomeric SMILES

CC[C@@](CC(=O)O)(C1=C(C(=O)N2CC3=C(C2=C1)N=C4C=C(C(=CC4=C3)F)F)CO)O

InChI

InChI=1S/C21H18F2N2O5/c1-2-21(30,7-18(27)28)13-5-17-19-11(8-25(17)20(29)12(13)9-26)3-10-4-14(22)15(23)6-16(10)24-19/h3-6,26,30H,2,7-9H2,1H3,(H,27,28)/t21-/m1/s1