bromanylmethane; (1-methylpiperidin-3-yl) 2-(1-oxidanylcyclopentyl)-2-phenyl-ethanoate

Systemtic Name: bromanylmethane; (1-methylpiperidin-3-yl) 2-(1-oxidanylcyclopentyl)-2-phenyl-ethanoate Openeye Name: bromomethane; (1-methyl-3-piperidyl) 2-(1-hydroxycyclopentyl)-2-phenyl-acetate CAS Name: bromomethane; 2-(1-hydroxycyclopentyl)-2-phenylacetic acid (1-methyl-3-piperidinyl) ester IUPAC Name: bromomethane; (1-methylpiperidin-3-yl) 2-(1-hydroxycyclopentyl)-2-phenylacetate Traditional Name: bromomethane; 2-(1-hydroxycyclopentyl)-2-phenyl-acetic acid (1-methyl-3-piperidyl) ester Formula: C20H30BrNO3 MolecularWeight: 412.3611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3(CCCC3)O.CBr

Isomeric SMILES

CN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3(CCCC3)O.CBr

InChI

InChI=1S/C19H27NO3.CH3Br/c1-20-13-7-10-16(14-20)23-18(21)17(15-8-3-2-4-9-15)19(22)11-5-6-12-19;1-2/h2-4,8-9,16-17,22H,5-7,10-14H2,1H3;1H3