bromanylmethane; (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 9-ethylxanthene-9-carboxylate

Systemtic Name: bromanylmethane; (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 9-ethylxanthene-9-carboxylate Openeye Name: bromomethane; (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 9-ethylxanthene-9-carboxylate CAS Name: bromomethane; 9-ethyl-9-xanthenecarboxylic acid (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) ester IUPAC Name: bromomethane; (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 9-ethylxanthene-9-carboxylate Traditional Name: bromomethane; 9-ethylxanthene-9-carboxylic acid (8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) ester Formula: C25H28BrNO3 MolecularWeight: 470.39872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2OC3=CC=CC=C31)C(=O)OC4CC5C=CC(C4)N5C.CBr

Isomeric SMILES

CCC1(C2=CC=CC=C2OC3=CC=CC=C31)C(=O)OC4CC5C=CC(C4)N5C.CBr

InChI

InChI=1S/C24H25NO3.CH3Br/c1-3-24(23(26)27-18-14-16-12-13-17(15-18)25(16)2)19-8-4-6-10-21(19)28-22-11-7-5-9-20(22)24;1-2/h4-13,16-18H,3,14-15H2,1-2H3;1H3