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

Systemtic Name: [2-[[(2S)-octan-2-yl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[(1S)-1-methylheptyl]amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[(2S)-octan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-octan-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-[[(1S)-1-methylheptyl]amino]ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C20H26N2O3/c1-3-4-5-6-9-15(2)21-19(23)14-25-20(24)18-13-12-16-10-7-8-11-17(16)22-18/h7-8,10-13,15H,3-6,9,14H2,1-2H3,(H,21,23)/t15-/m0/s1