1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] ester, (1R,4S)-rel-

CAS Registry Number®

5878-33-1

CAS Name

1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] ester, (1R,4S)-rel-

Molecular Formula

C34H42N2O4

Molecular Mass

542.71

Cite this Page

1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] ester, (1R,4S)-rel-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5878-33-1 (retrieved 2024-11-22) (CAS RN: 5878-33-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3/t23-,24+,25-,26+,27+,28+,30-,34+/s2

InChIKey

InChIKey=GERIGMSHTUAXSI-LUSJBPPBNA-N

SMILES

C(O[C@H]1C[C@@]2(N(C)[C@](C1)(CC2)[H])[H])(=O)[C@]3(C=4C([C@H](C(O[C@@H]5C[C@]6(N(C)[C@@](C5)(CC6)[H])[H])=O)CC3)=CC=CC4)C7=CC=CC=C7

Canonical SMILES

O=C(OC1CC2N(C)C(CC2)C1)C3C=4C=CC=CC4C(C(=O)OC5CC6N(C)C(CC6)C5)(C=7C=CC=CC7)CC3

Other Names for this Substance

  • 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] ester, (1R,4S)-rel-
  • 1αH,5aH-Tropan-3α-ol, trans-1,2,3,4-tetrahydro-1-phenyl-1,4-naphthalenedicarboxylate (ester) (2:1)
  • 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer
  • α-Belladonnine
  • α-Isatropic acid di-α-tropanyl ester

CAS INSIGHTSTM
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