(4-propan-2-ylphenyl)methyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-propan-2-ylphenyl)methyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-isopropylphenyl)methyl 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid (4-isopropylbenzyl) ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

InChI

InChI=1S/C21H22N2O4/c1-14(2)16-9-7-15(8-10-16)13-27-21(26)19-17-5-3-4-6-18(17)20(25)23(22-19)11-12-24/h3-10,14,24H,11-13H2,1-2H3