ethyl (3S)-1-[3-[(1S)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-[(1S)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-[(1S)-1-cyano-2-ethoxy-2-oxo-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-[(1S)-1-cyano-2-ethoxy-2-oxoethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-[(1S)-1-cyano-2-ethoxy-2-oxoethyl]quinoxalin-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-[(1S)-1-cyano-2-ethoxy-2-keto-ethyl]quinoxalin-2-yl]nipecotic acid ethyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)C(=O)OCC

InChI

InChI=1S/C21H24N4O4/c1-3-28-20(26)14-8-7-11-25(13-14)19-18(15(12-22)21(27)29-4-2)23-16-9-5-6-10-17(16)24-19/h5-6,9-10,14-15H,3-4,7-8,11,13H2,1-2H3/t14-,15+/m0/s1