bromanylmethane; 2-[2-(1-ethylpiperidin-3-yl)phenyl]-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: bromanylmethane; 2-[2-(1-ethylpiperidin-3-yl)phenyl]-2-oxidanyl-2-phenyl-ethanoate Openeye Name: bromomethane; 2-[2-(1-ethyl-3-piperidyl)phenyl]-2-hydroxy-2-phenyl-acetate CAS Name: bromomethane; 2-[2-(1-ethyl-3-piperidinyl)phenyl]-2-hydroxy-2-phenylacetate IUPAC Name: bromomethane; 2-[2-(1-ethylpiperidin-3-yl)phenyl]-2-hydroxy-2-phenylacetate Traditional Name: bromomethane; 2-[2-(1-ethyl-3-piperidyl)phenyl]-2-hydroxy-2-phenyl-acetate Formula: C22H27BrNO3- MolecularWeight: 433.35868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)C2=CC=CC=C2C(C3=CC=CC=C3)(C(=O)[O-])O.CBr

Isomeric SMILES

CCN1CCCC(C1)C2=CC=CC=C2C(C3=CC=CC=C3)(C(=O)[O-])O.CBr

InChI

InChI=1S/C21H25NO3.CH3Br/c1-2-22-14-8-9-16(15-22)18-12-6-7-13-19(18)21(25,20(23)24)17-10-4-3-5-11-17;1-2/h3-7,10-13,16,25H,2,8-9,14-15H2,1H3,(H,23,24);1H3/p-1