methyl 4-fluoranyl-3-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]benzoate Openeye Name: methyl 4-fluoro-3-[4-(8-methyl-4-oxo-quinazolin-3-yl)butanoylamino]benzoate CAS Name: 4-fluoro-3-[[4-(8-methyl-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]benzoate Traditional Name: 4-fluoro-3-[4-(4-keto-8-methyl-quinazolin-3-yl)butanoylamino]benzoic acid methyl ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC3=C(C=CC(=C3)C(=O)OC)F

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC3=C(C=CC(=C3)C(=O)OC)F

InChI

InChI=1S/C21H20FN3O4/c1-13-5-3-6-15-19(13)23-12-25(20(15)27)10-4-7-18(26)24-17-11-14(21(28)29-2)8-9-16(17)22/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,24,26)