hexyl (2R)-2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)ethanoate

Systemtic Name: hexyl (2R)-2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)ethanoate Openeye Name: hexyl (2R)-2-cyano-2-(3-morpholinoquinoxalin-2-yl)acetate CAS Name: (2R)-2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid hexyl ester IUPAC Name: hexyl (2R)-2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)acetate Traditional Name: (2R)-2-cyano-2-(3-morpholinoquinoxalin-2-yl)acetic acid hexyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCOCC3

Isomeric SMILES

CCCCCCOC(=O)[C@@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCOCC3

InChI

InChI=1S/C21H26N4O3/c1-2-3-4-7-12-28-21(26)16(15-22)19-20(25-10-13-27-14-11-25)24-18-9-6-5-8-17(18)23-19/h5-6,8-9,16H,2-4,7,10-14H2,1H3/t16-/m0/s1