1-[3-(苯甲酰氧基)丙基]-2,3-二氢-5-[(2R)-2-[[2-[2-(2,2,2-三氟乙氧基)苯氧基]乙基]氨基]丙基]-1H-吲哚-7-甲腈乙二酸盐

CAS号
885340-12-5
CCD编号
CCD07421782
分子式
C32 H34 F3 N3 O4 . C2 H2 O4
分子量
671.665

基本信息

产品名称: 1-[3-(苯甲酰氧基)丙基]-2,3-二氢-5-[(2R)-2-[[2-[2-(2,2,2-三氟乙氧基)苯氧基]乙基]氨基]丙基]-1H-吲哚-7-甲腈乙二酸盐
CAS: 885340-12-5
中文同义词: 1-[3-(苯甲酰氧基)丙基]-2,3-二氢-5-[(2R)-2-[[2-[2-(2,2,2-三氟乙氧基)苯氧基]乙基]氨基]丙基]-1H-吲哚-7-甲腈乙二酸盐
英文同义词: (R)-3-(7-CYANO-5-(2-((2-(2-(2,2,2-TRIFLUOROETHOXY)PHENOXY)ETHYL)AMINO)PROPYL)INDOLIN-1-YL)PROPYL BENZOATE OXALATE
MDL号: MFCD22494934
氢键受体数量: 7
氢键供体数量: 1
Smile: C[C@H](Cc1cc2c(c(c1)C#N)N(CC2)CCCOC(=O)c3ccccc3)NCCOc4ccccc4OCC(F)(F)F.C(=O)(C(=O)O)O
InChi: InChI=1S/C32H34F3N3O4.C2H2O4/c1-23(37-13-17-40-28-10-5-6-11-29(28)42-22-32(33,34)35)18-24-19-26-12-15-38(30(26)27(20-24)21-36)14-7-16-41-31(39)25-8-3-2-4-9-25;3-1(4)2(5)6/h2-6,8-11,19-20,23,37H,7,12-18,22H2,1H3;(H,3,4)(H,5,6)/t23-;/m1./s1
InChiKey: InChIKey=BAYQIJBUNUHEKS-GNAFDRTKSA-N

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