ethyl 1-(2,3-dimethylquinoxalin-6-yl)carbonyl-3-(pyridin-2-ylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(2,3-dimethylquinoxalin-6-yl)carbonyl-3-(pyridin-2-ylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(2,3-dimethylquinoxaline-6-carbonyl)-3-(2-pyridylmethyl)piperidine-3-carboxylate CAS Name: 1-[(2,3-dimethyl-6-quinoxalinyl)-oxomethyl]-3-(2-pyridinylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dimethylquinoxaline-6-carbonyl)-3-(pyridin-2-ylmethyl)piperidine-3-carboxylate Traditional Name: 1-(2,3-dimethylquinoxaline-6-carbonyl)-3-(2-pyridylmethyl)nipecotic acid ethyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(C(=N3)C)C)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(C(=N3)C)C)CC4=CC=CC=N4

InChI

InChI=1S/C25H28N4O3/c1-4-32-24(31)25(15-20-8-5-6-12-26-20)11-7-13-29(16-25)23(30)19-9-10-21-22(14-19)28-18(3)17(2)27-21/h5-6,8-10,12,14H,4,7,11,13,15-16H2,1-3H3