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

Systemtic Name: [(2S)-2-methylbutyl] (2S)-2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanoate Openeye Name: [(2S)-2-methylbutyl] (2S)-2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate CAS Name: (2S)-2-cyano-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] (2S)-2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate Traditional Name: (2S)-2-cyano-2-(3-pyrrolidinoquinoxalin-2-yl)acetic acid [(2S)-2-methylbutyl] ester Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC3

Isomeric SMILES

CC[C@H](C)COC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCCC3

InChI

InChI=1S/C20H24N4O2/c1-3-14(2)13-26-20(25)15(12-21)18-19(24-10-6-7-11-24)23-17-9-5-4-8-16(17)22-18/h4-5,8-9,14-15H,3,6-7,10-11,13H2,1-2H3/t14-,15+/m0/s1