(2-chloranyl-6-fluoranyl-phenyl)methyl 3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-(3-cyclopropyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-cyclopropyl-4-oxo-2-quinazolinyl)propanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(3-cyclopropyl-4-keto-quinazolin-2-yl)propionic acid (2-chloro-6-fluoro-benzyl) ester Formula: C21H18ClFN2O3 MolecularWeight: 400.830623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CC1N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H18ClFN2O3/c22-16-5-3-6-17(23)15(16)12-28-20(26)11-10-19-24-18-7-2-1-4-14(18)21(27)25(19)13-8-9-13/h1-7,13H,8-12H2