[2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)C1=CC(=O)NC2=CC=CC=C21

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)COC(=O)C1=CC(=O)NC2=CC=CC=C21

InChI

InChI=1S/C20H26N2O4/c1-3-5-8-14(4-2)12-21-19(24)13-26-20(25)16-11-18(23)22-17-10-7-6-9-15(16)17/h6-7,9-11,14H,3-5,8,12-13H2,1-2H3,(H,21,24)(H,22,23)/t14-/m0/s1