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

Systemtic Name: ethyl 4-[3-(4-methyl-1-oxidanylidene-phthalazin-2-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[2-hydroxy-3-(4-methyl-1-oxo-phthalazin-2-yl)propoxy]benzoate CAS Name: 4-[2-hydroxy-3-(4-methyl-1-oxo-2-phthalazinyl)propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-hydroxy-3-(4-methyl-1-oxophthalazin-2-yl)propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-(1-keto-4-methyl-phthalazin-2-yl)propoxy]benzoic acid ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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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)C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-3-27-21(26)15-8-10-17(11-9-15)28-13-16(24)12-23-20(25)19-7-5-4-6-18(19)14(2)22-23/h4-11,16,24H,3,12-13H2,1-2H3