ethyl (3S)-3-[(2-methylphenyl)methyl]-1-quinoxalin-6-ylcarbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-quinoxalin-6-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-(o-tolylmethyl)-1-(quinoxaline-6-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-methylphenyl)methyl]-1-[oxo(6-quinoxalinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(quinoxaline-6-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-methylbenzyl)-1-(quinoxaline-6-carbonyl)nipecotic acid ethyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=NC=CN=C3C=C2)CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC3=NC=CN=C3C=C2)CC4=CC=CC=C4C

InChI

InChI=1S/C25H27N3O3/c1-3-31-24(30)25(16-20-8-5-4-7-18(20)2)11-6-14-28(17-25)23(29)19-9-10-21-22(15-19)27-13-12-26-21/h4-5,7-10,12-13,15H,3,6,11,14,16-17H2,1-2H3/t25-/m0/s1