(phenylmethyl) 4-[4-(4-fluorophenyl)-4-oxidanylidene-3-pyridin-4-yl-butanoyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(4-fluorophenyl)-4-oxidanylidene-3-pyridin-4-yl-butanoyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[4-(4-fluorophenyl)-4-oxo-3-(4-pyridyl)butanoyl]piperidine-1-carboxylate CAS Name: 4-[4-(4-fluorophenyl)-1,4-dioxo-3-pyridin-4-ylbutyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(4-fluorophenyl)-4-oxo-3-pyridin-4-ylbutanoyl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)-4-keto-3-(4-pyridyl)butanoyl]piperidine-1-carboxylic acid benzyl ester Formula: C28H27FN2O4 MolecularWeight: 474.523383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)CC(C2=CC=NC=C2)C(=O)C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)CC(C2=CC=NC=C2)C(=O)C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27FN2O4/c29-24-8-6-23(7-9-24)27(33)25(21-10-14-30-15-11-21)18-26(32)22-12-16-31(17-13-22)28(34)35-19-20-4-2-1-3-5-20/h1-11,14-15,22,25H,12-13,16-19H2