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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F)C(=O)O

Isomeric SMILES

CC(CC(=O)NC1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F)C(=O)O

InChI

InChI=1S/C20H18FN3O4/c1-11(20(27)28)8-18(25)22-17-10-12(6-7-15(17)21)9-16-13-4-2-3-5-14(13)19(26)24-23-16/h2-7,10-11H,8-9H2,1H3,(H,22,25)(H,24,26)(H,27,28)