[(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate

Systemtic Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate Openeye Name: [(1S)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 3-(4-oxocinnolin-1-yl)propanoate CAS Name: 3-(4-oxo-1-cinnolinyl)propanoic acid [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate Traditional Name: 3-(4-ketocinnolin-1-yl)propionic acid [(1S)-2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)OC(=O)CCN1C2=CC=CC=C2C(=O)C=N1

Isomeric SMILES

C[C@@H](C(=O)N(C(C)C)C(C)C)OC(=O)CCN1C2=CC=CC=C2C(=O)C=N1

InChI

InChI=1S/C20H27N3O4/c1-13(2)23(14(3)4)20(26)15(5)27-19(25)10-11-22-17-9-7-6-8-16(17)18(24)12-21-22/h6-9,12-15H,10-11H2,1-5H3/t15-/m0/s1