Chem
J-GLOBAL ID:200907064269086767   Nikkaji number:J2.104.491A

[4-[2′-Hydroxy-3′-[[(1R,2R)-2-[(2-hydroxy-2′-phenyl-1,1′-binaphthalene-3-yl)methyleneamino]cyclohexyl]iminomethyl]-1,1′-binaphthalene-2-yl]phenyl]carbamic acid 1,1-dimethyl-2,2,2-trichloroethyl ester

[4-[2′-ヒドロキシ-3′-[[(1R,2R)-2-[(2-ヒドロキシ-2′-フェニル-1,1′-ビナフタレン-3-イル)メチレンアミノ]シクロヘキシル]イミノメチル]-1,1′-ビナフタレン-2-イル]フェニル]カルバミド酸1,1-ジメチル-2,2,2-トリクロロエチル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C65H52Cl3N3O4
Molecular formula furigana: C65-H52-CL3-N3-O4
Molecular weight: 1045.500
InChI: InChI=1S/C65H52Cl3N3O4/c1-64(2,65(66,67)68)75-63(74)71-48-32-28-43(29-33-48)54-35-31-42-19-7-11-23-50(42)58(54)60-52-25-13-9-21-45(52)37-47(62(60)73)39-70-56-27-15-14-26-55(56)69-38-46-36-44-20-8-12-24-51(44)59(61(46)72)57-49-22-10-6-18-41(49)30-34-53(57)40-16-4-3-5-17-40/h3-13,16-25,28-39,55-56,72-73H,14-15,26-27H2,1-2H3,(H,71,74)/t55-,56-/m1/s1
InChI key: KQCWHYUDMWNNQU-JBFSERFOSA-N
SMILES: CC(C)(OC(=O)Nc1ccc(cc1)c1ccc2ccccc2c1c1c(O)c(C=N[C@@H]2CCCC[C@H]2N=Cc2cc3ccccc3c(c2O)c2c(ccc3ccccc23)c2ccccc2)cc2ccccc12)C(Cl)(Cl)Cl
Systematic name  (3):
  • [4-[2′-ヒドロキシ-3′-[[(1R,2R)-2-[(2-ヒドロキシ-2′-フェニル-1,1′-ビナフタレン-3-イル)メチレンアミノ]シクロヘキシル]イミノメチル]-1,1′-ビナフタレン-2-イル]フェニル]カルバミド酸1,1-ジメチル-2,2,2-トリクロロエチル
  • 1,1,1-トリクロロ-2-メチルプロパン-2-イル N-{4-[2'-ヒドロキシ-3'-({[(1R,2R)-2-[({2-ヒドロキシ-2'-フェニル-[1,1'-ビナフタレン]-3-イル}メチリデン)アミノ]シクロヘキシル]イミノ}メチル)-[1,1'-ビナフタレン]-2-イル]フェニル}カルバマート
  • 1,1,1-trichloro-2-methylpropan-2-yl N-{4-[2'-hydroxy-3'-({[(1R,2R)-2-[({2-hydroxy-2'-phenyl-[1,1'-binaphthalen]-3-yl}methylidene)amino]cyclohexyl]imino}methyl)-[1,1'-binaphthalen]-2-yl]phenyl}carbamate
Other name (1):
  • [4-[2′-Hydroxy-3′-[[(1R,2R)-2-[(2-hydroxy-2′-phenyl-1,1′-binaphthalene-3-yl)methyleneamino]cyclohexyl]iminomethyl]-1,1′-binaphthalene-2-yl]phenyl]carbamic acid 1,1-dimethyl-2,2,2-trichloroethyl ester
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