(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H20BrN3O4 MolecularWeight: 434.2838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3)C4=NC=CC=N4

InChI

InChI=1S/C19H20BrN3O4/c20-14-11-17-16(25-8-9-26-17)10-13(14)12-27-18(24)15-4-1-2-7-23(15)19-21-5-3-6-22-19/h3,5-6,10-11,15H,1-2,4,7-9,12H2