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

Systemtic Name: ethyl (3S)-1-[3-[(1S)-1-cyano-2-oxidanylidene-2-prop-2-enoxy-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-[(1S)-2-allyloxy-1-cyano-2-oxo-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-[(1S)-1-cyano-2-oxo-2-prop-2-enoxyethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-[(1S)-1-cyano-2-oxo-2-prop-2-enoxyethyl]quinoxalin-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-[(1S)-2-allyloxy-1-cyano-2-keto-ethyl]quinoxalin-2-yl]nipecotic acid ethyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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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=C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4/c1-3-12-30-22(28)16(13-23)19-20(25-18-10-6-5-9-17(18)24-19)26-11-7-8-15(14-26)21(27)29-4-2/h3,5-6,9-10,15-16H,1,4,7-8,11-12,14H2,2H3/t15-,16+/m0/s1