tert-butyl 4-(4-fluorophenyl)-2-oxidanylidene-4-(3-pyridin-4-ylbut-3-enyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-fluorophenyl)-2-oxidanylidene-4-(3-pyridin-4-ylbut-3-enyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-fluorophenyl)-2-oxo-4-[3-(4-pyridyl)but-3-enyl]piperidine-1-carboxylate CAS Name: 4-(4-fluorophenyl)-2-oxo-4-(3-pyridin-4-ylbut-3-enyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-fluorophenyl)-2-oxo-4-(3-pyridin-4-ylbut-3-enyl)piperidine-1-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-keto-4-[3-(4-pyridyl)but-3-enyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H29FN2O3 MolecularWeight: 424.507763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1=O)(CCC(=C)C2=CC=NC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1=O)(CCC(=C)C2=CC=NC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H29FN2O3/c1-18(19-10-14-27-15-11-19)9-12-25(20-5-7-21(26)8-6-20)13-16-28(22(29)17-25)23(30)31-24(2,3)4/h5-8,10-11,14-15H,1,9,12-13,16-17H2,2-4H3