tert-butyl 4-[(E)-1-(2,4-dichlorophenyl)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-4-fluoranyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-1-(2,4-dichlorophenyl)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-4-fluoranyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-1-(2,4-dichlorophenyl)-3-ethoxy-3-oxo-prop-1-enyl]-4-fluoro-piperidine-1-carboxylate CAS Name: 4-[(E)-1-(2,4-dichlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]-4-fluoro-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-1-(2,4-dichlorophenyl)-3-ethoxy-3-oxoprop-1-enyl]-4-fluoropiperidine-1-carboxylate Traditional Name: 4-[(E)-1-(2,4-dichlorophenyl)-3-ethoxy-3-keto-prop-1-enyl]-4-fluoro-piperidine-1-carboxylic acid tert-butyl ester Formula: C21H26Cl2FNO4 MolecularWeight: 446.339843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C1=C(C=C(C=C1)Cl)Cl)C2(CCN(CC2)C(=O)OC(C)(C)C)F

Isomeric SMILES

CCOC(=O)/C=C(\C1=C(C=C(C=C1)Cl)Cl)/C2(CCN(CC2)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C21H26Cl2FNO4/c1-5-28-18(26)13-16(15-7-6-14(22)12-17(15)23)21(24)8-10-25(11-9-21)19(27)29-20(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3/b16-13+