2-methoxyethyl (2S)-2-cyano-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl (2S)-2-cyano-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: 2-methoxyethyl (2S)-2-[3-(4-benzyl-1-piperidyl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2S)-2-cyano-2-[3-[4-(phenylmethyl)-1-piperidinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (2S)-2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2S)-2-[3-(4-benzylpiperidino)quinoxalin-2-yl]-2-cyano-acetic acid 2-methoxyethyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COCCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-32-15-16-33-26(31)21(18-27)24-25(29-23-10-6-5-9-22(23)28-24)30-13-11-20(12-14-30)17-19-7-3-2-4-8-19/h2-10,20-21H,11-17H2,1H3/t21-/m1/s1