[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H16N2O3/c1-2-12-22-20(24)14-26-21(25)17-13-19(15-8-4-3-5-9-15)23-18-11-7-6-10-16(17)18/h1,3-11,13H,12,14H2,(H,22,24)