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

Systemtic Name: 2-[7-(cyclohexylmethylamino)-6-fluoranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-3-phenyl-propanoic acid Openeye Name: 2-[7-(cyclohexylmethylamino)-6-fluoro-2,4-dioxo-1H-quinazolin-3-yl]-3-phenyl-propanoic acid CAS Name: 2-[7-(cyclohexylmethylamino)-6-fluoro-2,4-dioxo-1H-quinazolin-3-yl]-3-phenylpropanoic acid IUPAC Name: 2-[7-(cyclohexylmethylamino)-6-fluoro-2,4-dioxo-1H-quinazolin-3-yl]-3-phenylpropanoic acid Traditional Name: 2-[7-(cyclohexylmethylamino)-6-fluoro-2,4-diketo-1H-quinazolin-3-yl]-3-phenyl-propionic acid Formula: C24H26FN3O4 MolecularWeight: 439.479343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=C(C=C3C(=C2)NC(=O)N(C3=O)C(CC4=CC=CC=C4)C(=O)O)F

Isomeric SMILES

C1CCC(CC1)CNC2=C(C=C3C(=C2)NC(=O)N(C3=O)C(CC4=CC=CC=C4)C(=O)O)F

InChI

InChI=1S/C24H26FN3O4/c25-18-12-17-19(13-20(18)26-14-16-9-5-2-6-10-16)27-24(32)28(22(17)29)21(23(30)31)11-15-7-3-1-4-8-15/h1,3-4,7-8,12-13,16,21,26H,2,5-6,9-11,14H2,(H,27,32)(H,30,31)