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

Systemtic Name: ethyl 3-[(4-chlorophenyl)methyl]-1-(2,3-dimethylquinoxalin-6-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(4-chlorophenyl)methyl]-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(4-chlorophenyl)methyl]-1-[(2,3-dimethyl-6-quinoxalinyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-chlorophenyl)methyl]-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(4-chlorobenzyl)-1-(2,3-dimethylquinoxaline-6-carbonyl)nipecotic acid ethyl ester Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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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)Cl

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)Cl

InChI

InChI=1S/C26H28ClN3O3/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