3-Cyclohexene-1-carboxylic acid, 2-(dimethylamino)-1-phenyl-, ethyl ester, (1R,2S)-rel-, (2E)-2-butenedioate (1:1)
CAS Registry Number®
55567-81-2
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CAS Name
3-Cyclohexene-1-carboxylic acid, 2-(dimethylamino)-1-phenyl-, ethyl ester, (1R,2S)-rel-, (2E)-2-butenedioate (1:1)Molecular Formula
C17H23NO2.C4H4O4Cite this Page
3-Cyclohexene-1-carboxylic acid, 2-(dimethylamino)-1-phenyl-, ethyl ester, (1R,2S)-rel-, (2E)-2-butenedioate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=55567-81-2 (retrieved ) (CAS RN: 55567-81-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1/C17H23NO2.C4H4O4/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;5-3(6)1-2-4(7)8/h5-8,10-12,15H,4,9,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-,17+;/s2
InChIKey
InChIKey=PMBFJKOESQBPHB-UTKGIMMWNA-N
SMILES
C(OCC)(=O)[C@]1([C@H](N(C)C)C=CCC1)C2=CC=CC=C2.C(=C/C(O)=O)\C(O)=O
Canonical SMILES
O=C(O)C=CC(=O)O.O=C(OCC)C1(C=2C=CC=CC2)CCC=CC1N(C)C
Other Names for this Substance
- 3-Cyclohexene-1-carboxylic acid, 2-(dimethylamino)-1-phenyl-, ethyl ester, (1R,2S)-rel-, (2E)-2-butenedioate (1:1)
- 3-Cyclohexene-1-carboxylic acid, 2-(dimethylamino)-1-phenyl-, ethyl ester, trans-(±)-, (E)-2-butenedioate (1:1)
- Tilidine fumarate
