hexyl (2S)-2-cyano-2-[3-[(3R)-3-methylpiperidin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: hexyl (2S)-2-cyano-2-[3-[(3R)-3-methylpiperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: hexyl (2S)-2-cyano-2-[3-[(3R)-3-methyl-1-piperidyl]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[(3R)-3-methyl-1-piperidinyl]-2-quinoxalinyl]acetic acid hexyl ester IUPAC Name: hexyl (2S)-2-cyano-2-[3-[(3R)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[(3R)-3-methylpiperidino]quinoxalin-2-yl]acetic acid hexyl ester Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC(C3)C

Isomeric SMILES

CCCCCCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCC[C@H](C3)C

InChI

InChI=1S/C23H30N4O2/c1-3-4-5-8-14-29-23(28)18(15-24)21-22(27-13-9-10-17(2)16-27)26-20-12-7-6-11-19(20)25-21/h6-7,11-12,17-18H,3-5,8-10,13-14,16H2,1-2H3/t17-,18-/m1/s1