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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 3-(4-oxocinnolin-1-yl)propanoate CAS Name: 3-(4-oxo-1-cinnolinyl)propanoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate Traditional Name: 3-(4-ketocinnolin-1-yl)propionic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-3-9-18-17(23)12(2)24-16(22)8-10-20-14-7-5-4-6-13(14)15(21)11-19-20/h4-7,11-12H,3,8-10H2,1-2H3,(H,18,23)/t12-/m0/s1