methyl 2,4-bis(fluoranyl)-5-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzoate CAS Name: 2,4-difluoro-5-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzoate Traditional Name: 2,4-difluoro-5-[4-(4-ketoquinazolin-3-yl)butanoylamino]benzoic acid methyl ester Formula: C20H17F2N3O4 MolecularWeight: 401.363486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H17F2N3O4/c1-29-20(28)13-9-17(15(22)10-14(13)21)24-18(26)7-4-8-25-11-23-16-6-3-2-5-12(16)19(25)27/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,24,26)