methyl 2-cyano-2-[3-[3-(hydroxymethyl)piperidin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[3-(hydroxymethyl)piperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[3-(hydroxymethyl)-1-piperidyl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[3-(hydroxymethyl)-1-piperidinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[3-(hydroxymethyl)piperidin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(3-methylolpiperidino)quinoxalin-2-yl]acetic acid methyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC(C3)CO

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC(C3)CO

InChI

InChI=1S/C18H20N4O3/c1-25-18(24)13(9-19)16-17(22-8-4-5-12(10-22)11-23)21-15-7-3-2-6-14(15)20-16/h2-3,6-7,12-13,23H,4-5,8,10-11H2,1H3