[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-keto-2-[[(1S)-1-methylhexyl]amino]ethyl] ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C)C

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C)C

InChI

InChI=1S/C20H27N3O3/c1-5-6-7-8-13(2)21-19(24)12-26-20(25)16-9-10-17-18(11-16)23-15(4)14(3)22-17/h9-11,13H,5-8,12H2,1-4H3,(H,21,24)/t13-/m0/s1