(7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C4=NC=CC=N4

InChI

InChI=1S/C18H18ClN3O4/c19-13-8-12(9-15-16(13)26-11-25-15)10-24-17(23)14-4-1-2-7-22(14)18-20-5-3-6-21-18/h3,5-6,8-9,14H,1-2,4,7,10-11H2