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

Systemtic Name: 1-[6-chloranyl-5-[2-(2-fluorophenyl)ethylcarbamoyl]quinolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-5-[2-(2-fluorophenyl)ethylcarbamoyl]-2-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-5-[[2-(2-fluorophenyl)ethylamino]-oxomethyl]-2-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-5-[2-(2-fluorophenyl)ethylcarbamoyl]quinolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-5-[2-(2-fluorophenyl)ethylcarbamoyl]-2-quinolyl]isonipecotic acid Formula: C24H23ClFN3O3 MolecularWeight: 455.909123

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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=C4F

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCCC4=CC=CC=C4F

InChI

InChI=1S/C24H23ClFN3O3/c25-18-6-7-20-17(5-8-21(28-20)29-13-10-16(11-14-29)24(31)32)22(18)23(30)27-12-9-15-3-1-2-4-19(15)26/h1-8,16H,9-14H2,(H,27,30)(H,31,32)