(4-azanylquinazolin-2-yl)methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-phthalimidobenzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C24H16N4O4 MolecularWeight: 424.40824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C24H16N4O4/c25-21-18-10-3-4-11-19(18)26-20(27-21)13-32-24(31)14-6-5-7-15(12-14)28-22(29)16-8-1-2-9-17(16)23(28)30/h1-12H,13H2,(H2,25,26,27)