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

Systemtic Name: ethyl (3S)-1-[3-[(1S)-1-cyano-2-methoxy-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-[(1S)-1-cyano-2-methoxy-2-oxo-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]quinoxalin-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-[(1S)-1-cyano-2-keto-2-methoxy-ethyl]quinoxalin-2-yl]nipecotic acid ethyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-3-28-19(25)13-7-6-10-24(12-13)18-17(14(11-21)20(26)27-2)22-15-8-4-5-9-16(15)23-18/h4-5,8-9,13-14H,3,6-7,10,12H2,1-2H3/t13-,14+/m0/s1