[2-(butylamino)-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C

InChI

InChI=1S/C17H20N2O3/c1-3-4-9-18-16(20)11-22-17(21)14-10-12(2)19-15-8-6-5-7-13(14)15/h5-8,10H,3-4,9,11H2,1-2H3,(H,18,20)