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

Systemtic Name: ethanedioate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(4-chlorophenyl)-2-methyl-propanoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(4-chlorophenyl)-2-methyl-propanoate; oxalate CAS Name: 3-(4-chlorophenyl)-2-methylpropanoic 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) 3-(4-chlorophenyl)-2-methylpropanoate; oxalate Traditional Name: 3-(4-chlorophenyl)-2-methyl-propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester; oxalate Formula: C20H24ClNO6-2 MolecularWeight: 409.86066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)Cl)C(=O)OC2CC3CCC(C2)N3C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(CC1=CC=C(C=C1)Cl)C(=O)OC2CC3CCC(C2)N3C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C18H24ClNO2.C2H2O4/c1-12(9-13-3-5-14(19)6-4-13)18(21)22-17-10-15-7-8-16(11-17)20(15)2;3-1(4)2(5)6/h3-6,12,15-17H,7-11H2,1-2H3;(H,3,4)(H,5,6)/p-2