4-(1-oxidanylidenephthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanoic acid

Systemtic Name: 4-(1-oxidanylidenephthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanoic acid Openeye Name: 4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanoic acid CAS Name: 4-(1-oxo-2-phthalazinyl)-2-[(4-phenylphenoxy)methyl]butanoic acid IUPAC Name: 4-(1-oxophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butanoic acid Traditional Name: 4-(1-ketophthalazin-2-yl)-2-[(4-phenylphenoxy)methyl]butyric acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CCN3C(=O)C4=CC=CC=C4C=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CCN3C(=O)C4=CC=CC=C4C=N3)C(=O)O

InChI

InChI=1S/C25H22N2O4/c28-24-23-9-5-4-8-20(23)16-26-27(24)15-14-21(25(29)30)17-31-22-12-10-19(11-13-22)18-6-2-1-3-7-18/h1-13,16,21H,14-15,17H2,(H,29,30)