[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)butanoic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)F

InChI

InChI=1S/C21H20FN3O4/c1-13-9-10-14(11-16(13)22)23-19(26)12-29-20(27)8-4-7-18-24-17-6-3-2-5-15(17)21(28)25-18/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,23,26)(H,24,25,28)