(3S)-1-(3H-benzimidazol-5-ylcarbonyl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(3H-benzimidazol-5-ylcarbonyl)piperidine-3-carboxylate Openeye Name: (3S)-1-(3H-benzimidazole-5-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[3H-benzimidazol-5-yl(oxo)methyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(3H-benzimidazole-5-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3H-benzimidazole-5-carbonyl)nipecotate Formula: C14H14N3O3- MolecularWeight: 272.27926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=CN3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC3=C(C=C2)N=CN3)C(=O)[O-]

InChI

InChI=1S/C14H15N3O3/c18-13(17-5-1-2-10(7-17)14(19)20)9-3-4-11-12(6-9)16-8-15-11/h3-4,6,8,10H,1-2,5,7H2,(H,15,16)(H,19,20)/p-1/t10-/m0/s1