ethyl (3S)-1-(3H-benzimidazol-5-ylcarbonyl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(3H-benzimidazol-5-ylcarbonyl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3H-benzimidazole-5-carbonyl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3H-benzimidazol-5-yl(oxo)methyl]-3-[(3-chlorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3H-benzimidazole-5-carbonyl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(3H-benzimidazole-5-carbonyl)-3-(3-chlorobenzyl)nipecotic acid ethyl ester Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)N=CN3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC3=C(C=C2)N=CN3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H24ClN3O3/c1-2-30-22(29)23(13-16-5-3-6-18(24)11-16)9-4-10-27(14-23)21(28)17-7-8-19-20(12-17)26-15-25-19/h3,5-8,11-12,15H,2,4,9-10,13-14H2,1H3,(H,25,26)/t23-/m0/s1