2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoranyl-2,4-bis(oxidanylidene)quinazolin-3-yl]oxyethanoic acid

Systemtic Name: 2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoranyl-2,4-bis(oxidanylidene)quinazolin-3-yl]oxyethanoic acid Openeye Name: 2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxo-quinazolin-3-yl]oxyacetic acid CAS Name: 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxo-3-quinazolinyl]oxy]acetic acid IUPAC Name: 2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]oxyacetic acid Traditional Name: 2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-diketo-quinazolin-3-yl]oxyacetic acid Formula: C21H26FN3O5 MolecularWeight: 419.446643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C3C(=C2)N(C(=O)N(C3=O)OCC(=O)O)C4CCCC4)F

Isomeric SMILES

C1CCC(CC1)NC2=C(C=C3C(=C2)N(C(=O)N(C3=O)OCC(=O)O)C4CCCC4)F

InChI

InChI=1S/C21H26FN3O5/c22-16-10-15-18(11-17(16)23-13-6-2-1-3-7-13)24(14-8-4-5-9-14)21(29)25(20(15)28)30-12-19(26)27/h10-11,13-14,23H,1-9,12H2,(H,26,27)