4-[2-[(E)-2-(3-fluoranyl-4-methoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(3-fluoranyl-4-methoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(3-fluoro-4-methoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(3-fluoro-4-methoxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C24H17FN2O4 MolecularWeight: 416.401183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)F

InChI

InChI=1S/C24H17FN2O4/c1-31-21-12-6-15(14-19(21)25)7-13-22-26-20-5-3-2-4-18(20)23(28)27(22)17-10-8-16(9-11-17)24(29)30/h2-14H,1H3,(H,29,30)/b13-7+