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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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