4-azanyl-1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 4-azanyl-1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidine-4-carboxylic acid Openeye Name: 4-amino-1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperidine-4-carboxylic acid CAS Name: 4-amino-1-[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-amino-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidine-4-carboxylic acid Traditional Name: 4-amino-1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]isonipecotic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)(C(=O)O)N)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)(C(=O)O)N)O

InChI

InChI=1S/C18H23N3O4/c1-25-12-2-3-15-14(10-12)13(4-7-20-15)16(22)11-21-8-5-18(19,6-9-21)17(23)24/h2-4,7,10,16,22H,5-6,8-9,11,19H2,1H3,(H,23,24)