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

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)COC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C)C

InChI

InChI=1S/C21H29N3O3/c1-5-7-8-16(6-2)12-22-20(25)13-27-21(26)17-9-10-18-19(11-17)24-15(4)14(3)23-18/h9-11,16H,5-8,12-13H2,1-4H3,(H,22,25)/t16-/m0/s1