bromanylmethane; (1-methylpyrrolidin-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: bromanylmethane; (1-methylpyrrolidin-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: bromomethane; (1-methylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: bromomethane; 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1-methyl-3-pyrrolidinyl) ester IUPAC Name: bromomethane; (1-methylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: bromomethane; 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1-methylpyrrolidin-3-yl) ester Formula: C19H28BrNO3 MolecularWeight: 398.33452

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.CBr

Isomeric SMILES

CN1CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.CBr

InChI

InChI=1S/C18H25NO3.CH3Br/c1-19-12-11-16(13-19)22-17(20)18(21,15-9-5-6-10-15)14-7-3-2-4-8-14;1-2/h2-4,7-8,15-16,21H,5-6,9-13H2,1H3;1H3