(4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H18FN3O4 MolecularWeight: 395.383723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3)F

InChI

InChI=1S/C21H18FN3O4/c1-12-6-7-14(9-16(12)22)25-10-13(8-19(25)26)21(28)29-11-18-23-17-5-3-2-4-15(17)20(27)24-18/h2-7,9,13H,8,10-11H2,1H3,(H,23,24,27)