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

Systemtic Name: ethanedioate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-dimethylaminophenyl)propanoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-dimethylaminophenyl)propanoate; oxalate CAS Name: 2-(4-dimethylaminophenyl)propanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester; oxalate IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-dimethylaminophenyl)propanoate; oxalate Traditional Name: 2-(4-dimethylaminophenyl)propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester; oxalate Formula: C21H28N2O6-2 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N(C)C)C(=O)OC2CC3CCC(C2)N3C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)N(C)C)C(=O)OC2CC3CCC(C2)N3C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C19H28N2O2.C2H2O4/c1-13(14-5-7-15(8-6-14)20(2)3)19(22)23-18-11-16-9-10-17(12-18)21(16)4;3-1(4)2(5)6/h5-8,13,16-18H,9-12H2,1-4H3;(H,3,4)(H,5,6)/p-2