(phenylmethyl) 4-[3-(3-bromanyl-2-oxidanylidene-5-pyridin-2-yl-pyridin-1-yl)phenoxy]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-(3-bromanyl-2-oxidanylidene-5-pyridin-2-yl-pyridin-1-yl)phenoxy]piperidine-1-carboxylate Openeye Name: benzyl 4-[3-[3-bromo-2-oxo-5-(2-pyridyl)-1-pyridyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[3-[3-bromo-2-oxo-5-(2-pyridinyl)-1-pyridinyl]phenoxy]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(3-bromo-2-oxo-5-pyridin-2-ylpyridin-1-yl)phenoxy]piperidine-1-carboxylate Traditional Name: 4-[3-[3-bromo-2-keto-5-(2-pyridyl)-1-pyridyl]phenoxy]piperidine-1-carboxylic acid benzyl ester Formula: C29H26BrN3O4 MolecularWeight: 560.43844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC(=C2)N3C=C(C=C(C3=O)Br)C4=CC=CC=N4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1OC2=CC=CC(=C2)N3C=C(C=C(C3=O)Br)C4=CC=CC=N4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H26BrN3O4/c30-26-17-22(27-11-4-5-14-31-27)19-33(28(26)34)23-9-6-10-25(18-23)37-24-12-15-32(16-13-24)29(35)36-20-21-7-2-1-3-8-21/h1-11,14,17-19,24H,12-13,15-16,20H2