[2-oxidanylidene-2-(pentylamino)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-4-6-9-12-21-18(23)13-25-20(24)19-14(3)16(5-2)22-17-11-8-7-10-15(17)19/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,21,23)