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

Systemtic Name: ethyl (3R)-1-[3-[(1S)-1-cyano-2-(2-methoxyethoxy)-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[3-[(1S)-1-cyano-2-(2-methoxyethoxy)-2-oxo-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate CAS Name: (3R)-1-[3-[(1S)-1-cyano-2-(2-methoxyethoxy)-2-oxoethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[3-[(1S)-1-cyano-2-(2-methoxyethoxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-3-carboxylate Traditional Name: (3R)-1-[3-[(1S)-1-cyano-2-keto-2-(2-methoxyethoxy)ethyl]quinoxalin-2-yl]nipecotic acid ethyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5/c1-3-30-21(27)15-7-6-10-26(14-15)20-19(16(13-23)22(28)31-12-11-29-2)24-17-8-4-5-9-18(17)25-20/h4-5,8-9,15-16H,3,6-7,10-12,14H2,1-2H3/t15-,16-/m1/s1