(Z)-but-2-enedioate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-chloranyl-2-phenyl-ethanoate

Systemtic Name: (Z)-but-2-enedioate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-chloranyl-2-phenyl-ethanoate Openeye Name: (Z)-but-2-enedioate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-chloro-2-phenyl-acetate CAS Name: (Z)-2-butenedioate; 2-chloro-2-phenylacetic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (Z)-but-2-enedioate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-chloro-2-phenylacetate Traditional Name: 2-chloro-2-phenyl-acetic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester maleate Formula: C20H22ClNO6-2 MolecularWeight: 407.84478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)Cl.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)Cl.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C16H20ClNO2.C4H4O4/c1-18-12-7-8-13(18)10-14(9-12)20-16(19)15(17)11-5-3-2-4-6-11;5-3(6)1-2-4(7)8/h2-6,12-15H,7-10H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-