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

Systemtic Name: ethyl (3S)-1-[3-[(1S)-1-cyano-2-oxidanylidene-2-propan-2-yloxy-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-[(1S)-1-cyano-2-isopropoxy-2-oxo-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-[(1S)-1-cyano-2-oxo-2-propan-2-yloxyethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-[(1S)-1-cyano-2-oxo-2-propan-2-yloxyethyl]quinoxalin-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-[(1S)-1-cyano-2-isopropoxy-2-keto-ethyl]quinoxalin-2-yl]nipecotic acid ethyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-4-29-21(27)15-8-7-11-26(13-15)20-19(16(12-23)22(28)30-14(2)3)24-17-9-5-6-10-18(17)25-20/h5-6,9-10,14-16H,4,7-8,11,13H2,1-3H3/t15-,16+/m0/s1