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

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-quinoxalin-6-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(quinoxaline-6-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[oxo(6-quinoxalinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(quinoxaline-6-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(quinoxaline-6-carbonyl)nipecotic acid ethyl ester Formula: C24H24ClN3O3 MolecularWeight: 437.91866

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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=C4)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC3=NC=CN=C3C=C2)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H24ClN3O3/c1-2-31-23(30)24(15-17-5-3-6-19(25)13-17)9-4-12-28(16-24)22(29)18-7-8-20-21(14-18)27-11-10-26-20/h3,5-8,10-11,13-14H,2,4,9,12,15-16H2,1H3/t24-/m0/s1