5-[[2-fluoranyl-5-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-fluoranyl-5-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-5-oxo-pentanoic acid CAS Name: 5-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-5-oxopentanoic acid IUPAC Name: 5-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-5-oxopentanoic acid Traditional Name: 5-[2-fluoro-5-[(4-keto-3H-phthalazin-1-yl)methyl]anilino]-5-keto-valeric acid Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC(=C(C=C3)F)NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC(=C(C=C3)F)NC(=O)CCCC(=O)O

InChI

InChI=1S/C20H18FN3O4/c21-15-9-8-12(11-17(15)22-18(25)6-3-7-19(26)27)10-16-13-4-1-2-5-14(13)20(28)24-23-16/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,22,25)(H,24,28)(H,26,27)