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

Systemtic Name: tert-butyl (3E)-3-[3-ethoxy-1-(4-fluorophenyl)-3-oxidanylidene-propylidene]piperidine-1-carboxylate Openeye Name: tert-butyl (3E)-3-[3-ethoxy-1-(4-fluorophenyl)-3-oxo-propylidene]piperidine-1-carboxylate CAS Name: (3E)-3-[3-ethoxy-1-(4-fluorophenyl)-3-oxopropylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3E)-3-[3-ethoxy-1-(4-fluorophenyl)-3-oxopropylidene]piperidine-1-carboxylate Traditional Name: (3E)-3-[3-ethoxy-1-(4-fluorophenyl)-3-keto-propylidene]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28FNO4 MolecularWeight: 377.449723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=C1CCCN(C1)C(=O)OC(C)(C)C)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C/C(=C\1/CCCN(C1)C(=O)OC(C)(C)C)/C2=CC=C(C=C2)F

InChI

InChI=1S/C21H28FNO4/c1-5-26-19(24)13-18(15-8-10-17(22)11-9-15)16-7-6-12-23(14-16)20(25)27-21(2,3)4/h8-11H,5-7,12-14H2,1-4H3/b18-16+