1-[6-chloranyl-5-(phenethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-chloranyl-5-(phenethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-5-(phenethylcarbamoyl)-2-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-5-[oxo-(phenethylamino)methyl]-2-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-5-(phenethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-5-(phenethylcarbamoyl)-2-quinolyl]isonipecotic acid Formula: C24H24ClN3O3 MolecularWeight: 437.91866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H24ClN3O3/c25-19-7-8-20-18(22(19)23(29)26-13-10-16-4-2-1-3-5-16)6-9-21(27-20)28-14-11-17(12-15-28)24(30)31/h1-9,17H,10-15H2,(H,26,29)(H,30,31)