(E)-3-[1,4-di(propan-2-yl)-2,3-dihydroquinoxalin-6-yl]-2-fluoranyl-but-2-enoate

Systemtic Name: (E)-3-[1,4-di(propan-2-yl)-2,3-dihydroquinoxalin-6-yl]-2-fluoranyl-but-2-enoate Openeye Name: (E)-3-(1,4-diisopropyl-2,3-dihydroquinoxalin-6-yl)-2-fluoro-but-2-enoate CAS Name: (E)-3-[1,4-di(propan-2-yl)-2,3-dihydroquinoxalin-6-yl]-2-fluoro-2-butenoate IUPAC Name: (E)-3-[1,4-di(propan-2-yl)-2,3-dihydroquinoxalin-6-yl]-2-fluorobut-2-enoate Traditional Name: (E)-3-(1,4-diisopropyl-2,3-dihydroquinoxalin-6-yl)-2-fluoro-but-2-enoate Formula: C18H24FN2O2- MolecularWeight: 319.393763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(C2=C1C=CC(=C2)C(=C(C(=O)[O-])F)C)C(C)C

Isomeric SMILES

CC(C)N1CCN(C2=C1C=CC(=C2)/C(=C(\C(=O)[O-])/F)/C)C(C)C

InChI

InChI=1S/C18H25FN2O2/c1-11(2)20-8-9-21(12(3)4)16-10-14(6-7-15(16)20)13(5)17(19)18(22)23/h6-7,10-12H,8-9H2,1-5H3,(H,22,23)/p-1/b17-13+