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

Systemtic Name: ethyl 1-(2,3-dimethylquinoxalin-6-yl)carbonyl-3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(2,3-dimethylquinoxaline-6-carbonyl)-3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[(2,3-dimethyl-6-quinoxalinyl)-oxomethyl]-3-[(4-methoxyphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dimethylquinoxaline-6-carbonyl)-3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(2,3-dimethylquinoxaline-6-carbonyl)-3-p-anisyl-nipecotic acid ethyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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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)OC

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)OC

InChI

InChI=1S/C27H31N3O4/c1-5-34-26(32)27(16-20-7-10-22(33-4)11-8-20)13-6-14-30(17-27)25(31)21-9-12-23-24(15-21)29-19(3)18(2)28-23/h7-12,15H,5-6,13-14,16-17H2,1-4H3