hexyl (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: hexyl (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: hexyl (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethyl-1-piperidyl]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-quinoxalinyl]acetic acid hexyl ester IUPAC Name: hexyl (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidino]quinoxalin-2-yl]acetic acid hexyl ester Formula: C24H32N4O2 MolecularWeight: 408.53648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CC(CC(C3)C)C

Isomeric SMILES

CCCCCCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C24H32N4O2/c1-4-5-6-9-12-30-24(29)19(14-25)22-23(28-15-17(2)13-18(3)16-28)27-21-11-8-7-10-20(21)26-22/h7-8,10-11,17-19H,4-6,9,12-13,15-16H2,1-3H3/t17-,18-,19-/m1/s1