tert-butyl 4-[(E)-4-(4-fluorophenyl)-2-oxidanylidene-3-pyridin-4-yl-but-3-enyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-4-(4-fluorophenyl)-2-oxidanylidene-3-pyridin-4-yl-but-3-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-4-(4-fluorophenyl)-2-oxo-3-(4-pyridyl)but-3-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-4-(4-fluorophenyl)-2-oxo-3-pyridin-4-ylbut-3-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-4-(4-fluorophenyl)-2-oxo-3-pyridin-4-ylbut-3-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-4-(4-fluorophenyl)-2-keto-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)CC(=O)C(=CC2=CC=C(C=C2)F)C3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN2O3/c1-25(2,3)31-24(30)28-14-10-19(11-15-28)17-23(29)22(20-8-12-27-13-9-20)16-18-4-6-21(26)7-5-18/h4-9,12-13,16,19H,10-11,14-15,17H2,1-3H3/b22-16+