(1S,2R,5S)-5-Methyl-2-[1-methyl-1-(2-naphthyl)ethyl]cyclohexyl (1S,4R,5R)-5-(6-Chloro-3-pyridyl)-2-oxa-3-aza-bicyclo[2.2.2]octane-3-carboxylate

SpectraBase Compound ID	JdZGgi1nXdT
InChI	InChI=1S/C32H37ClN2O3/c1-20-8-13-27(32(2,3)24-11-9-21-6-4-5-7-22(21)17-24)29(16-20)37-31(36)35-28-14-12-25(38-35)18-26(28)23-10-15-30(33)34-19-23/h4-7,9-11,15,17,19-20,25-29H,8,12-14,16,18H2,1-3H3/t20-,25-,26+,27-,28+,29-/m0/s1
InChIKey	JRBHMVFVLLRBHO-MRZSSMFWSA-N Google Search
Mol Weight	533.1 g/mol
Molecular Formula	C32H37ClN2O3
Exact Mass	532.249271 g/mol

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SpectraBase Spectrum ID	7zuTsDUbOY0
Name	(1S,2R,5S)-5-Methyl-2-[1-methyl-1-(2-naphthyl)ethyl]cyclohexyl (1S,4R,5R)-5-(6-Chloro-3-pyridyl)-2-oxa-3-aza-bicyclo[2.2.2]octane-3-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H37ClN2O3
InChI	InChI=1S/C32H37ClN2O3/c1-20-8-13-27(32(2,3)24-11-9-21-6-4-5-7-22(21)17-24)29(16-20)37-31(36)35-28-14-12-25(38-35)18-26(28)23-10-15-30(33)34-19-23/h4-7,9-11,15,17,19-20,25-29H,8,12-14,16,18H2,1-3H3/t20-,25-,26+,27-,28+,29-/m0/s1
InChIKey	JRBHMVFVLLRBHO-MRZSSMFWSA-N
Molecular Weight	533.112 g/mol
SMILES	C(N1[C@]2([C@@](c3cnc(cc3)Cl)(C[C@@](O1)(CC2)[H])[H])[H])(O[C@@]1([C@@](C(c2cc3ccccc3cc2)(C)C)(CC[C@@](C1)(C)[H])[H])[H])=O
SPLASH	splash10-0aou-0910000000-7930b074ccb51bb43fd8
Source of Spectrum	J-63-8405-28
Synonyms	(1S,4R,5R)-5-(6-Chloro-pyridin-3-yl)-2-oxa-3-aza-bicyclo[2.2.2]octane-3-carboxylic acid (1S,2R,5S)-5-methyl-2-(1-methyl-1-naphthalen-2-yl-ethyl)-cyclohexyl ester (2R)-5-methyl-2-[1-methyl-1-(2-naphthyl)ethyl]cyclohexyl (1S,4R,5R)-5-(6-chloro-3-pyridinyl)-2-oxa-3-azabicyclo[2.2.2]octane-3-carboxylate
Wiley ID	1403645