ethyl 1-(2,3-dimethylquinoxalin-6-yl)carbonyl-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(2,3-dimethylquinoxalin-6-yl)carbonyl-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(2,3-dimethylquinoxaline-6-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[(2,3-dimethyl-6-quinoxalinyl)-oxomethyl]-3-[(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dimethylquinoxaline-6-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(2,3-dimethylquinoxaline-6-carbonyl)-3-(4-fluorobenzyl)nipecotic acid ethyl ester Formula: C26H28FN3O3 MolecularWeight: 449.517223

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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=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(C(=N3)C)C)CC4=CC=C(C=C4)F

InChI

InChI=1S/C26H28FN3O3/c1-4-33-25(32)26(15-19-6-9-21(27)10-7-19)12-5-13-30(16-26)24(31)20-8-11-22-23(14-20)29-18(3)17(2)28-22/h6-11,14H,4-5,12-13,15-16H2,1-3H3