[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C17H12ClFN2O3 MolecularWeight: 346.740183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C17H12ClFN2O3/c1-9(24-17(23)11-7-6-10(18)8-13(11)19)15-20-14-5-3-2-4-12(14)16(22)21-15/h2-9H,1H3,(H,20,21,22)/t9-/m0/s1