(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO)C)C(C)(C)C

InChI

InChI=1S/C24H28N2O4/c1-15-12-17(24(3,4)5)13-16(2)20(15)14-30-23(29)21-18-8-6-7-9-19(18)22(28)26(25-21)10-11-27/h6-9,12-13,27H,10-11,14H2,1-5H3