methyl 3-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: methyl 3-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: methyl 3-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-oxo-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-keto-phthalazine-1-carboxylic acid methyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-23(2,3)15-9-11-17(12-10-15)30-14-16(26)13-25-21(27)19-8-6-5-7-18(19)20(24-25)22(28)29-4/h5-12,16,26H,13-14H2,1-4H3