(phenylmethyl) (2S)-2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanoate

Systemtic Name: (phenylmethyl) (2S)-2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanoate Openeye Name: benzyl (2S)-2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate CAS Name: (2S)-2-cyano-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate Traditional Name: (2S)-2-cyano-2-(3-pyrrolidinoquinoxalin-2-yl)acetic acid benzyl ester Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2/c23-14-17(22(27)28-15-16-8-2-1-3-9-16)20-21(26-12-6-7-13-26)25-19-11-5-4-10-18(19)24-20/h1-5,8-11,17H,6-7,12-13,15H2/t17-/m1/s1