methyl 2,4-bis(fluoranyl)-5-[3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[3-(2-methyl-4-oxo-quinazolin-3-yl)propanoylamino]benzoate CAS Name: 2,4-difluoro-5-[[3-(2-methyl-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[3-(2-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzoate Traditional Name: 2,4-difluoro-5-[3-(4-keto-2-methyl-quinazolin-3-yl)propanoylamino]benzoic acid methyl ester Formula: C20H17F2N3O4 MolecularWeight: 401.363486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCC(=O)NC3=C(C=C(C(=C3)C(=O)OC)F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCC(=O)NC3=C(C=C(C(=C3)C(=O)OC)F)F

InChI

InChI=1S/C20H17F2N3O4/c1-11-23-16-6-4-3-5-12(16)19(27)25(11)8-7-18(26)24-17-9-13(20(28)29-2)14(21)10-15(17)22/h3-6,9-10H,7-8H2,1-2H3,(H,24,26)