methyl 1-[3-[(1R)-1-cyano-2-(2-methylpropoxy)-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[(1R)-1-cyano-2-(2-methylpropoxy)-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-[(1R)-1-cyano-2-isobutoxy-2-oxo-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(1R)-1-cyano-2-(2-methylpropoxy)-2-oxoethyl]-2-quinoxalinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(1R)-1-cyano-2-(2-methylpropoxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(1R)-1-cyano-2-isobutoxy-2-keto-ethyl]quinoxalin-2-yl]isonipecotic acid methyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC(C)COC(=O)[C@@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C22H26N4O4/c1-14(2)13-30-22(28)16(12-23)19-20(25-18-7-5-4-6-17(18)24-19)26-10-8-15(9-11-26)21(27)29-3/h4-7,14-16H,8-11,13H2,1-3H3/t16-/m0/s1