tert-butyl 3-[(E)-3-ethoxy-1-(4-fluorophenyl)-3-oxidanylidene-prop-1-enyl]-3-fluoranyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(E)-3-ethoxy-1-(4-fluorophenyl)-3-oxidanylidene-prop-1-enyl]-3-fluoranyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(E)-3-ethoxy-1-(4-fluorophenyl)-3-oxo-prop-1-enyl]-3-fluoro-piperidine-1-carboxylate CAS Name: 3-[(E)-3-ethoxy-1-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-fluoro-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(E)-3-ethoxy-1-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-fluoropiperidine-1-carboxylate Traditional Name: 3-[(E)-3-ethoxy-1-(4-fluorophenyl)-3-keto-prop-1-enyl]-3-fluoro-piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27F2NO4 MolecularWeight: 395.440186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C1=CC=C(C=C1)F)C2(CCCN(C2)C(=O)OC(C)(C)C)F

Isomeric SMILES

CCOC(=O)/C=C(\C1=CC=C(C=C1)F)/C2(CCCN(C2)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C21H27F2NO4/c1-5-27-18(25)13-17(15-7-9-16(22)10-8-15)21(23)11-6-12-24(14-21)19(26)28-20(2,3)4/h7-10,13H,5-6,11-12,14H2,1-4H3/b17-13+