ethyl 4-[(3S)-3-(5-fluoranyl-2-methoxy-phenyl)carbonylpiperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-(5-fluoranyl-2-methoxy-phenyl)carbonylpiperidin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(5-fluoro-2-methoxy-benzoyl)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-1-piperidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(5-fluoro-2-methoxy-benzoyl)piperidino]piperidine-1-carboxylic acid ethyl ester Formula: C21H29FN2O4 MolecularWeight: 392.464363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCCC(C2)C(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCC[C@@H](C2)C(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H29FN2O4/c1-3-28-21(26)23-11-8-17(9-12-23)24-10-4-5-15(14-24)20(25)18-13-16(22)6-7-19(18)27-2/h6-7,13,15,17H,3-5,8-12,14H2,1-2H3/t15-/m0/s1