1-(3-cyanoquinolin-4-yl)piperidine-3-carboxylic acid

Systemtic Name: 1-(3-cyanoquinolin-4-yl)piperidine-3-carboxylic acid Openeye Name: 1-(3-cyano-4-quinolyl)piperidine-3-carboxylic acid CAS Name: 1-(3-cyano-4-quinolinyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(3-cyanoquinolin-4-yl)piperidine-3-carboxylic acid Traditional Name: 1-(3-cyano-4-quinolyl)nipecotic acid Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=NC3=CC=CC=C32)C#N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=C(C=NC3=CC=CC=C32)C#N)C(=O)O

InChI

InChI=1S/C16H15N3O2/c17-8-12-9-18-14-6-2-1-5-13(14)15(12)19-7-3-4-11(10-19)16(20)21/h1-2,5-6,9,11H,3-4,7,10H2,(H,20,21)