ethyl 1-[3-[(1R)-1-cyano-2-[(2S)-1-methoxypropan-2-yl]oxy-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[(1R)-1-cyano-2-[(2S)-1-methoxypropan-2-yl]oxy-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(1R)-1-cyano-2-[(1S)-2-methoxy-1-methyl-ethoxy]-2-oxo-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(1R)-1-cyano-2-[(2S)-1-methoxypropan-2-yl]oxy-2-oxoethyl]-2-quinoxalinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(1R)-1-cyano-2-[(2S)-1-methoxypropan-2-yl]oxy-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(1R)-1-cyano-2-keto-2-[(1S)-2-methoxy-1-methyl-ethoxy]ethyl]quinoxalin-2-yl]isonipecotic acid ethyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC(C)COC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)C(=O)O[C@@H](C)COC

InChI

InChI=1S/C23H28N4O5/c1-4-31-22(28)16-9-11-27(12-10-16)21-20(25-18-7-5-6-8-19(18)26-21)17(13-24)23(29)32-15(2)14-30-3/h5-8,15-17H,4,9-12,14H2,1-3H3/t15-,17-/m0/s1