ethyl 1-(2-chloroethyl)-4-[3-(3-fluoranylquinolin-4-yl)propyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-chloroethyl)-4-[3-(3-fluoranylquinolin-4-yl)propyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2-chloroethyl)-4-[3-(3-fluoro-4-quinolyl)propyl]piperidine-4-carboxylate CAS Name: 1-(2-chloroethyl)-4-[3-(3-fluoro-4-quinolinyl)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloroethyl)-4-[3-(3-fluoroquinolin-4-yl)propyl]piperidine-4-carboxylate Traditional Name: 1-(2-chloroethyl)-4-[3-(3-fluoro-4-quinolyl)propyl]isonipecotic acid ethyl ester Formula: C22H28ClFN2O2 MolecularWeight: 406.921323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCCl)CCCC2=C(C=NC3=CC=CC=C32)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCCl)CCCC2=C(C=NC3=CC=CC=C32)F

InChI

InChI=1S/C22H28ClFN2O2/c1-2-28-21(27)22(10-13-26(14-11-22)15-12-23)9-5-7-17-18-6-3-4-8-20(18)25-16-19(17)24/h3-4,6,8,16H,2,5,7,9-15H2,1H3