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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-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-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=C(C=C2Br)OCCO3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=C(C=C2Br)OCCO3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23BrN2O5/c23-18-13-20-19(28-10-11-29-20)12-16(18)14-30-21(26)15-6-8-25(9-7-15)22(27)24-17-4-2-1-3-5-17/h1-5,12-13,15H,6-11,14H2,(H,24,27)