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

Systemtic Name: 4-[[2-fluoranyl-5-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]amino]-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-4-oxo-2-phenyl-butanoic acid CAS Name: 4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-4-oxo-2-phenylbutanoic acid IUPAC Name: 4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-4-oxo-2-phenylbutanoic acid Traditional Name: 4-[2-fluoro-5-[(4-keto-3H-phthalazin-1-yl)methyl]anilino]-4-keto-2-phenyl-butyric acid Formula: C25H20FN3O4 MolecularWeight: 445.442403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NC2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NC2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F)C(=O)O

InChI

InChI=1S/C25H20FN3O4/c26-20-11-10-15(12-21-17-8-4-5-9-18(17)24(31)29-28-21)13-22(20)27-23(30)14-19(25(32)33)16-6-2-1-3-7-16/h1-11,13,19H,12,14H2,(H,27,30)(H,29,31)(H,32,33)