1-[3-[4-chloranyl-3-(2-cyclohexylethylcarbamoyl)phenyl]pyridin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[4-chloranyl-3-(2-cyclohexylethylcarbamoyl)phenyl]pyridin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[4-chloro-3-(2-cyclohexylethylcarbamoyl)phenyl]-2-pyridyl]piperidine-4-carboxylic acid CAS Name: 1-[3-[4-chloro-3-[(2-cyclohexylethylamino)-oxomethyl]phenyl]-2-pyridinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[4-chloro-3-(2-cyclohexylethylcarbamoyl)phenyl]pyridin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[4-chloro-3-(2-cyclohexylethylcarbamoyl)phenyl]-2-pyridyl]isonipecotic acid Formula: C26H32ClN3O3 MolecularWeight: 470.00358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCNC(=O)C2=C(C=CC(=C2)C3=C(N=CC=C3)N4CCC(CC4)C(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)CCNC(=O)C2=C(C=CC(=C2)C3=C(N=CC=C3)N4CCC(CC4)C(=O)O)Cl

InChI

InChI=1S/C26H32ClN3O3/c27-23-9-8-20(17-22(23)25(31)29-14-10-18-5-2-1-3-6-18)21-7-4-13-28-24(21)30-15-11-19(12-16-30)26(32)33/h4,7-9,13,17-19H,1-3,5-6,10-12,14-16H2,(H,29,31)(H,32,33)