[(2S)-2-methylbutyl] (2R)-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanoate

Systemtic Name: [(2S)-2-methylbutyl] (2R)-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanoate Openeye Name: [(2S)-2-methylbutyl] (2R)-2-cyano-2-[3-(1-piperidyl)quinoxalin-2-yl]acetate CAS Name: (2R)-2-cyano-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] (2R)-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetate Traditional Name: (2R)-2-cyano-2-(3-piperidinoquinoxalin-2-yl)acetic acid [(2S)-2-methylbutyl] ester Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCC3

Isomeric SMILES

CC[C@H](C)COC(=O)[C@@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCCCC3

InChI

InChI=1S/C21H26N4O2/c1-3-15(2)14-27-21(26)16(13-22)19-20(25-11-7-4-8-12-25)24-18-10-6-5-9-17(18)23-19/h5-6,9-10,15-16H,3-4,7-8,11-12,14H2,1-2H3/t15-,16-/m0/s1