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

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)propoxy]benzoate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-(1-oxo-4-phenyl-phthalazin-2-yl)propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-(1-oxo-4-phenyl-2-phthalazinyl)propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(1-oxo-4-phenylphthalazin-2-yl)propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-(1-keto-4-phenyl-phthalazin-2-yl)propoxy]benzoic acid ethyl ester Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)O

InChI

InChI=1S/C26H24N2O5/c1-2-32-26(31)19-12-14-21(15-13-19)33-17-20(29)16-28-25(30)23-11-7-6-10-22(23)24(27-28)18-8-4-3-5-9-18/h3-15,20,29H,2,16-17H2,1H3/t20-/m1/s1