3-[(3-methoxycarbonyl-4-phenyl-quinolin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(3-methoxycarbonyl-4-phenyl-quinolin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(3-methoxycarbonyl-4-phenyl-2-quinolyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(3-methoxycarbonyl-4-phenyl-2-quinolinyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(3-methoxycarbonyl-4-phenylquinolin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(3-carbomethoxy-4-phenyl-2-quinolyl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C27H19N3O5 MolecularWeight: 465.45686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H19N3O5/c1-35-27(34)23-21(15-30-25(31)18-12-6-5-11-17(18)24(29-30)26(32)33)28-20-14-8-7-13-19(20)22(23)16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,32,33)