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

Systemtic Name: 1-[6-chloranyl-5-(2-cyclohexylethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-5-(2-cyclohexylethylcarbamoyl)-2-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-5-[(2-cyclohexylethylamino)-oxomethyl]-2-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-5-(2-cyclohexylethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-5-(2-cyclohexylethylcarbamoyl)-2-quinolyl]isonipecotic acid Formula: C24H30ClN3O3 MolecularWeight: 443.9663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CCC(CC4)C(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)CCNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CCC(CC4)C(=O)O)Cl

InChI

InChI=1S/C24H30ClN3O3/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/h6-9,16-17H,1-5,10-15H2,(H,26,29)(H,30,31)