[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H16N2O3 MolecularWeight: 296.32054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C17H16N2O3/c1-4-9-18-15(20)10-22-17(21)16-11(2)13-7-5-6-8-14(13)19-12(16)3/h1,5-8H,9-10H2,2-3H3,(H,18,20)