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

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

CCC1(C(CCCN1)C(=O)OCCCC2=C3C=C(C=CC3=NC=C2)OC)SC4=CC=CC(=C4)F

Isomeric SMILES

CCC1(C(CCCN1)C(=O)OCCCC2=C3C=C(C=CC3=NC=C2)OC)SC4=CC=CC(=C4)F

InChI

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