(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H21ClN2O5/c23-16-11-14(12-19-20(16)28-10-9-27-19)13-29-21(26)15-5-7-25(8-6-15)22-24-17-3-1-2-4-18(17)30-22/h1-4,11-12,15H,5-10,13H2