5-[[4-[(2-bromanyl-5-ethoxy-phenyl)methyl]piperidin-1-yl]methyl]-3-propyl-1,3-oxazinan-2-one

Systemtic Name: 5-[[4-[(2-bromanyl-5-ethoxy-phenyl)methyl]piperidin-1-yl]methyl]-3-propyl-1,3-oxazinan-2-one Openeye Name: 5-[[4-[(2-bromo-5-ethoxy-phenyl)methyl]-1-piperidyl]methyl]-3-propyl-1,3-oxazinan-2-one CAS Name: 5-[[4-[(2-bromo-5-ethoxyphenyl)methyl]-1-piperidinyl]methyl]-3-propyl-1,3-oxazinan-2-one IUPAC Name: 5-[[4-[(2-bromo-5-ethoxyphenyl)methyl]piperidin-1-yl]methyl]-3-propyl-1,3-oxazinan-2-one Traditional Name: 5-[[4-(2-bromo-5-ethoxy-benzyl)piperidino]methyl]-3-propyl-1,3-oxazinan-2-one Formula: C22H33BrN2O3 MolecularWeight: 453.41302

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(COC1=O)CN2CCC(CC2)CC3=C(C=CC(=C3)OCC)Br

Isomeric SMILES

CCCN1CC(COC1=O)CN2CCC(CC2)CC3=C(C=CC(=C3)OCC)Br

InChI

InChI=1S/C22H33BrN2O3/c1-3-9-25-15-18(16-28-22(25)26)14-24-10-7-17(8-11-24)12-19-13-20(27-4-2)5-6-21(19)23/h5-6,13,17-18H,3-4,7-12,14-16H2,1-2H3