methyl 4-[2-oxidanyl-3-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)propoxy]benzoate

Systemtic Name: methyl 4-[2-oxidanyl-3-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-(1-oxo-4-phenyl-phthalazin-2-yl)propoxy]benzoate CAS Name: 4-[2-hydroxy-3-(1-oxo-4-phenyl-2-phthalazinyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-(1-oxo-4-phenylphthalazin-2-yl)propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-(1-keto-4-phenyl-phthalazin-2-yl)propoxy]benzoic acid methyl ester Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)O

InChI

InChI=1S/C25H22N2O5/c1-31-25(30)18-11-13-20(14-12-18)32-16-19(28)15-27-24(29)22-10-6-5-9-21(22)23(26-27)17-7-3-2-4-8-17/h2-14,19,28H,15-16H2,1H3