[1-oxidanylidene-1-(propylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C

InChI

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