3-(6-methoxyquinolin-4-yl)propyl 2-ethyl-1-(3-fluorophenyl)sulfanyl-piperidine-3-carboxylate

Systemtic Name: 3-(6-methoxyquinolin-4-yl)propyl 2-ethyl-1-(3-fluorophenyl)sulfanyl-piperidine-3-carboxylate Openeye Name: 3-(6-methoxy-4-quinolyl)propyl 2-ethyl-1-(3-fluorophenyl)sulfanyl-piperidine-3-carboxylate CAS Name: 2-ethyl-1-[(3-fluorophenyl)thio]-3-piperidinecarboxylic acid 3-(6-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(6-methoxyquinolin-4-yl)propyl 2-ethyl-1-(3-fluorophenyl)sulfanylpiperidine-3-carboxylate Traditional Name: 2-ethyl-1-[(3-fluorophenyl)thio]nipecotic acid 3-(6-methoxy-4-quinolyl)propyl ester Formula: C27H31FN2O3S MolecularWeight: 482.610043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CCCN1SC2=CC=CC(=C2)F)C(=O)OCCCC3=C4C=C(C=CC4=NC=C3)OC

Isomeric SMILES

CCC1C(CCCN1SC2=CC=CC(=C2)F)C(=O)OCCCC3=C4C=C(C=CC4=NC=C3)OC

InChI

InChI=1S/C27H31FN2O3S/c1-3-26-23(10-5-15-30(26)34-22-9-4-8-20(28)17-22)27(31)33-16-6-7-19-13-14-29-25-12-11-21(32-2)18-24(19)25/h4,8-9,11-14,17-18,23,26H,3,5-7,10,15-16H2,1-2H3