[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate Openeye Name: [(1R)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-(4-oxocinnolin-1-yl)propanoate CAS Name: 3-(4-oxo-1-cinnolinyl)propanoic acid [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate Traditional Name: 3-(4-ketocinnolin-1-yl)propionic acid [(1R)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C21H20FN3O4/c1-14(21(28)23-12-15-6-8-16(22)9-7-15)29-20(27)10-11-25-18-5-3-2-4-17(18)19(26)13-24-25/h2-9,13-14H,10-12H2,1H3,(H,23,28)/t14-/m1/s1