(3S)-1-quinolin-2-ylcarbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-quinolin-2-ylcarbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[oxo(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-quinaldoylnipecotic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=NC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C16H16N2O3/c19-15(18-9-3-5-12(10-18)16(20)21)14-8-7-11-4-1-2-6-13(11)17-14/h1-2,4,6-8,12H,3,5,9-10H2,(H,20,21)/t12-/m0/s1