[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C

InChI

InChI=1S/C21H24N2O3/c1-6-21(7-2,8-3)23-19(24)13-26-20(25)17-12-15(5)22-18-10-9-14(4)11-16(17)18/h1,9-12H,7-8,13H2,2-5H3,(H,23,24)