2-[4-oxidanylidene-3-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-3-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]phthalazin-1-yl]ethanoic acid Openeye Name: 2-[4-oxo-3-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]phthalazin-1-yl]acetic acid CAS Name: 2-[4-oxo-3-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]-1-phthalazinyl]acetic acid IUPAC Name: 2-[4-oxo-3-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]phthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-3-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]phthalazin-1-yl]acetic acid Formula: C24H17N3O4 MolecularWeight: 411.40948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)CN4C(=O)C5=CC=CC=C5C(=N4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)CN4C(=O)C5=CC=CC=C5C(=N4)CC(=O)O

InChI

InChI=1S/C24H17N3O4/c28-23(29)13-19-17-8-4-5-9-18(17)24(30)27(26-19)14-22-25-20-12-16(10-11-21(20)31-22)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,28,29)