(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylpentanoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate Traditional Name: 4-methyl-2-phthalimido-valeric acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C23H20ClN3O5 MolecularWeight: 453.875

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CC(C(=O)OCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H20ClN3O5/c1-12(2)9-18(27-21(29)14-5-3-4-6-15(14)22(27)30)23(31)32-11-19-25-17-10-13(24)7-8-16(17)20(28)26-19/h3-8,10,12,18H,9,11H2,1-2H3,(H,25,26,28)