8-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)octanoic acid

Systemtic Name: 8-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)octanoic acid Openeye Name: 8-(1-oxo-4-phenyl-phthalazin-2-yl)octanoic acid CAS Name: 8-(1-oxo-4-phenyl-2-phthalazinyl)octanoic acid IUPAC Name: 8-(1-oxo-4-phenylphthalazin-2-yl)octanoic acid Traditional Name: 8-(1-keto-4-phenyl-phthalazin-2-yl)caprylic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCCCCCCC(=O)O

InChI

InChI=1S/C22H24N2O3/c25-20(26)15-7-2-1-3-10-16-24-22(27)19-14-9-8-13-18(19)21(23-24)17-11-5-4-6-12-17/h4-6,8-9,11-14H,1-3,7,10,15-16H2,(H,25,26)