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

Systemtic Name: ethyl 4-[(2R)-3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-[1-oxo-4-(p-tolyl)phthalazin-2-yl]propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-[1-keto-4-(p-tolyl)phthalazin-2-yl]propoxy]benzoic acid ethyl ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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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=C(C=C4)C)O

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O5/c1-3-33-27(32)20-12-14-22(15-13-20)34-17-21(30)16-29-26(31)24-7-5-4-6-23(24)25(28-29)19-10-8-18(2)9-11-19/h4-15,21,30H,3,16-17H2,1-2H3/t21-/m1/s1