cyclohexyl (2S)-2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)ethanoate

Systemtic Name: cyclohexyl (2S)-2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)ethanoate Openeye Name: cyclohexyl (2S)-2-cyano-2-(3-morpholinoquinoxalin-2-yl)acetate CAS Name: (2S)-2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl (2S)-2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)acetate Traditional Name: (2S)-2-cyano-2-(3-morpholinoquinoxalin-2-yl)acetic acid cyclohexyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCOCC4

Isomeric SMILES

C1CCC(CC1)OC(=O)[C@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCOCC4

InChI

InChI=1S/C21H24N4O3/c22-14-16(21(26)28-15-6-2-1-3-7-15)19-20(25-10-12-27-13-11-25)24-18-9-5-4-8-17(18)23-19/h4-5,8-9,15-16H,1-3,6-7,10-13H2/t16-/m1/s1