1,4-Benzenedicarboxylic acid, compd. with endo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl α-hydroxybenzeneacetate (1:1)

CAS Registry Number®

25442-86-8

CAS Name

1,4-Benzenedicarboxylic acid, compd. with endo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl α-hydroxybenzeneacetate (1:1)

Molecular Formula

C16H21NO3.C8H6O4

Cite this Page

1,4-Benzenedicarboxylic acid, compd. with endo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl α-hydroxybenzeneacetate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25442-86-8 (retrieved 2024-11-23) (CAS RN: 25442-86-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C16H21NO3.C8H6O4/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;9-7(10)5-1-2-6(4-3-5)8(11)12/h2-6,12-15,18H,7-10H2,1H3;1-4H,(H,9,10)(H,11,12)/t12-,13+,14+,15?;

InChIKey

InChIKey=GZOBYLKCMLZSCM-RDYJJYPNNA-N

SMILES

C(O)(=O)C1=CC=C(C(O)=O)C=C1.O(C(C(O)C1=CC=CC=C1)=O)[C@H]2C[C@@]3(N(C)[C@](C2)(CC3)[H])[H]

Canonical SMILES

O=C(O)C1=CC=C(C=C1)C(=O)O.O=C(OC1CC2N(C)C(CC2)C1)C(O)C=3C=CC=CC3

Other Names for this Substance

  • 1,4-Benzenedicarboxylic acid, compd. with endo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl α-hydroxybenzeneacetate (1:1)
  • 1αH,5αH-Tropan-3α-ol, mandelate (ester), terephthalate (1:1)
  • 1,4-Benzenedicarboxylic acid, compd. with endo-(±)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl α-hydroxybenzeneacetate (1:1)
  • Benzeneacetic acid, α-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(±)-, 1,4-benzenedicarboxylate (1:1) (salt)
  • Benzeneacetic acid, α-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-, 1,4-benzenedicarboxylate (1:1) (salt)

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