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

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C20H26N2O3/c1-3-5-8-15(4-2)13-21-19(23)14-25-20(24)18-12-11-16-9-6-7-10-17(16)22-18/h6-7,9-12,15H,3-5,8,13-14H2,1-2H3,(H,21,23)/t15-/m0/s1