[2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxo-ethyl] 1-ethyl-3-methyl-2-oxo-quinoxaline-6-carboxylate CAS Name: 1-ethyl-3-methyl-2-oxo-6-quinoxalinecarboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate Traditional Name: 1-ethyl-2-keto-3-methyl-quinoxaline-6-carboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-5-8-9-16(6-2)13-23-20(26)14-29-22(28)17-10-11-19-18(12-17)24-15(4)21(27)25(19)7-3/h10-12,16H,5-9,13-14H2,1-4H3,(H,23,26)/t16-/m0/s1