2-Butenamide, N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-, (2E)-, (2Z)-2-butenedioate (1:2)
CAS Registry Number®
915942-25-5
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CAS Name
2-Butenamide, N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-, (2E)-, (2Z)-2-butenedioate (1:2)Molecular Formula
C31H29ClFN5O3.2C4H4O4Cite this Page
2-Butenamide, N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-, (2E)-, (2Z)-2-butenedioate (1:2). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=915942-25-5 (retrieved ) (CAS RN: 915942-25-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C31H29ClFN5O3.C4H4O4/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(32)14-23)41-19-20-7-5-8-22(33)13-20;5-3(6)1-2-4(7)8/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39);1-2H,(H,5,6)(H,7,8)/b9-6+;2-1-
InChIKey
InChIKey=DBCZWZJYVKREOY-YFSTVNRHSA-N
SMILES
N(C=1C2=C(C=C(OCC)C(NC(/C=C/CN(C)C)=O)=C2)N=CC1C#N)C3=CC(Cl)=C(OCC4=CC(F)=CC=C4)C=C3.C(=C\C(O)=O)\C(O)=O
Canonical SMILES
N#CC1=CN=C2C=C(OCC)C(=CC2=C1NC3=CC=C(OCC=4C=CC=C(F)C4)C(Cl)=C3)NC(=O)C=CCN(C)C.O=C(O)C=CC(=O)O
Other Names for this Substance
- 2-Butenamide, N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-, (2E)-, (2Z)-2-butenedioate (1:2)
- (E)-N-[4-[3-Chloro-4-[(3-fluorobenzyl)oxy]anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide dimaleate
