butyl (2S)-2-cyano-2-[3-[ethyl-(phenylmethyl)amino]quinoxalin-2-yl]ethanoate

Systemtic Name: butyl (2S)-2-cyano-2-[3-[ethyl-(phenylmethyl)amino]quinoxalin-2-yl]ethanoate Openeye Name: butyl (2S)-2-[3-[benzyl(ethyl)amino]quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2S)-2-cyano-2-[3-[ethyl-(phenylmethyl)amino]-2-quinoxalinyl]acetic acid butyl ester IUPAC Name: butyl (2S)-2-[3-[benzyl(ethyl)amino]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2S)-2-[3-[benzyl(ethyl)amino]quinoxalin-2-yl]-2-cyano-acetic acid butyl ester Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N(CC)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N(CC)CC3=CC=CC=C3

InChI

InChI=1S/C24H26N4O2/c1-3-5-15-30-24(29)19(16-25)22-23(27-21-14-10-9-13-20(21)26-22)28(4-2)17-18-11-7-6-8-12-18/h6-14,19H,3-5,15,17H2,1-2H3/t19-/m1/s1