(5-chloranyl-2-methoxy-phenyl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (5-chloro-2-methoxy-benzyl) ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H21ClN2O4/c1-13(2)11-24-20(25)17-7-5-4-6-16(17)19(23-24)21(26)28-12-14-10-15(22)8-9-18(14)27-3/h4-10,13H,11-12H2,1-3H3