4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-pyrazin-2-ylsulfanylethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-pyrazin-2-ylsulfanylethyl)piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-(2-pyrazin-2-ylsulfanylethyl)piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)propyl]-1-[2-(2-pyrazinylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(2-pyrazin-2-ylsulfanylethyl)piperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-[2-(pyrazin-2-ylthio)ethyl]isonipecotic acid Formula: C25H29ClN4O3S MolecularWeight: 501.04076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCSC4=NC=CN=C4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCSC4=NC=CN=C4)C(=O)O

InChI

InChI=1S/C25H29ClN4O3S/c1-33-18-4-5-22-20(15-18)19(21(26)16-29-22)3-2-6-25(24(31)32)7-11-30(12-8-25)13-14-34-23-17-27-9-10-28-23/h4-5,9-10,15-17H,2-3,6-8,11-14H2,1H3,(H,31,32)