[(2R)-6-[5-fluoranyl-3-[(5R)-5-oxidanylhexyl]-4-oxidanylidene-phthalazin-1-yl]oxyhexan-2-yl] ethanoate

Systemtic Name: [(2R)-6-[5-fluoranyl-3-[(5R)-5-oxidanylhexyl]-4-oxidanylidene-phthalazin-1-yl]oxyhexan-2-yl] ethanoate Openeye Name: [(1R)-5-[5-fluoro-3-[(5R)-5-hydroxyhexyl]-4-oxo-phthalazin-1-yl]oxy-1-methyl-pentyl] acetate CAS Name: acetic acid [(2R)-6-[[5-fluoro-3-[(5R)-5-hydroxyhexyl]-4-oxo-1-phthalazinyl]oxy]hexan-2-yl] ester IUPAC Name: [(2R)-6-[5-fluoro-3-[(5R)-5-hydroxyhexyl]-4-oxophthalazin-1-yl]oxyhexan-2-yl] acetate Traditional Name: acetic acid [(1R)-5-[5-fluoro-3-[(5R)-5-hydroxyhexyl]-4-keto-phthalazin-1-yl]oxy-1-methyl-pentyl] ester Formula: C22H31FN2O5 MolecularWeight: 422.490343

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(C=CC=C2F)C(=N1)OCCCCC(C)OC(=O)C)O

Isomeric SMILES

C[C@H](CCCCN1C(=O)C2=C(C=CC=C2F)C(=N1)OCCCC[C@@H](C)OC(=O)C)O

InChI

InChI=1S/C22H31FN2O5/c1-15(26)9-4-6-13-25-22(28)20-18(11-8-12-19(20)23)21(24-25)29-14-7-5-10-16(2)30-17(3)27/h8,11-12,15-16,26H,4-7,9-10,13-14H2,1-3H3/t15-,16-/m1/s1