ethanedioate; (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)propanoate

Systemtic Name: ethanedioate; (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)propanoate Openeye Name: (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)propanoate; oxalate CAS Name: 2-(4-bromophenyl)propanoic acid (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) ester; oxalate IUPAC Name: (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)propanoate; oxalate Traditional Name: 2-(4-bromophenyl)propionic acid (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) ester; oxalate Formula: C20H24BrNO6-2 MolecularWeight: 454.31166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2CCC1CC(C2)OC(=O)C(C)C3=CC=C(C=C3)Br.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCN1C2CCC1CC(C2)OC(=O)C(C)C3=CC=C(C=C3)Br.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C18H24BrNO2.C2H2O4/c1-3-20-15-8-9-16(20)11-17(10-15)22-18(21)12(2)13-4-6-14(19)7-5-13;3-1(4)2(5)6/h4-7,12,15-17H,3,8-11H2,1-2H3;(H,3,4)(H,5,6)/p-2