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

Systemtic Name: bromanylmethane; (1-methylpiperidin-3-yl) 2-(1-oxidanylcyclohexyl)-2-phenyl-ethanoate Openeye Name: bromomethane; (1-methyl-3-piperidyl) 2-(1-hydroxycyclohexyl)-2-phenyl-acetate CAS Name: bromomethane; 2-(1-hydroxycyclohexyl)-2-phenylacetic acid (1-methyl-3-piperidinyl) ester IUPAC Name: bromomethane; (1-methylpiperidin-3-yl) 2-(1-hydroxycyclohexyl)-2-phenylacetate Traditional Name: bromomethane; 2-(1-hydroxycyclohexyl)-2-phenyl-acetic acid (1-methyl-3-piperidyl) ester Formula: C21H32BrNO3 MolecularWeight: 426.38768

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3(CCCCC3)O.CBr

Isomeric SMILES

CN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3(CCCCC3)O.CBr

InChI

InChI=1S/C20H29NO3.CH3Br/c1-21-14-8-11-17(15-21)24-19(22)18(16-9-4-2-5-10-16)20(23)12-6-3-7-13-20;1-2/h2,4-5,9-10,17-18,23H,3,6-8,11-15H2,1H3;1H3