[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C

InChI

InChI=1S/C18H22N2O3/c1-4-13(5-2)20-17(21)11-23-18(22)15-10-12(3)19-16-9-7-6-8-14(15)16/h6-10,13H,4-5,11H2,1-3H3,(H,20,21)