(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-methoxycarbonyl-4-methyl-2-quinolyl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-methoxycarbonyl-4-methylquinolin-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (3-carbomethoxy-4-methyl-2-quinolyl)methyl ester Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)C(=O)OC

InChI

InChI=1S/C23H19N3O5/c1-13-14-8-6-7-11-17(14)24-18(19(13)22(28)30-3)12-31-23(29)20-15-9-4-5-10-16(15)21(27)26(2)25-20/h4-11H,12H2,1-3H3