2-[7-(cyclohexylamino)-6-fluoranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[7-(cyclohexylamino)-6-fluoranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-3-phenyl-propanoic acid Openeye Name: 2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1H-quinazolin-3-yl]-3-phenyl-propanoic acid CAS Name: 2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1H-quinazolin-3-yl]-3-phenylpropanoic acid IUPAC Name: 2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1H-quinazolin-3-yl]-3-phenylpropanoic acid Traditional Name: 2-[7-(cyclohexylamino)-6-fluoro-2,4-diketo-1H-quinazolin-3-yl]-3-phenyl-propionic acid Formula: C23H24FN3O4 MolecularWeight: 425.452763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C3C(=C2)NC(=O)N(C3=O)C(CC4=CC=CC=C4)C(=O)O)F

Isomeric SMILES

C1CCC(CC1)NC2=C(C=C3C(=C2)NC(=O)N(C3=O)C(CC4=CC=CC=C4)C(=O)O)F

InChI

InChI=1S/C23H24FN3O4/c24-17-12-16-18(13-19(17)25-15-9-5-2-6-10-15)26-23(31)27(21(16)28)20(22(29)30)11-14-7-3-1-4-8-14/h1,3-4,7-8,12-13,15,20,25H,2,5-6,9-11H2,(H,26,31)(H,29,30)