Chem
J-GLOBAL ID：200907045022003074
Nikkaji number：J2.003.641I
(αS)-α-Cyano-α-fluoro-4-methylbenzeneacetic acid (1R)-1β-(benzyloxycarbonylamino)-2,3-dihydro-1H-indene-2β-yl ester
(αS)-α-シアノ-α-フルオロ-4-メチルベンゼン酢酸(1R)-1β-(ベンジルオキシカルボニルアミノ)-2,3-ジヒドロ-1H-インデン-2β-イル
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
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
Molecular formula： C27H23FN2O4
Molecular formula furigana： C27-H23-F-N2-O4
Molecular weight： 458.489
InChI：
InChI=1S/C27H23FN2O4/c1-18-11-13-21(14-12-18)27(28,17-29)25(31)34-23-15-20-9-5-6-10-22(20)24(23)30-26(32)33-16-19-7-3-2-4-8-19/h2-14,23-24H,15-16H2,1H3,(H,30,32)/t23-,24+,27+/m0/s1
InChI key：
KWOZMPVKSVUJPQ-CLCZQPDDSA-N
SMILES：
Cc1ccc(cc1)[C@](F)(C#N)C(=O)O[C@H]1Cc2ccccc2[C@H]1NC(=O)OCc1ccccc1
Systematic name (3)：
- (αS)-α-シアノ-α-フルオロ-4-メチルベンゼン酢酸(1R)-1β-(ベンジルオキシカルボニルアミノ)-2,3-ジヒドロ-1H-インデン-2β-イル
- (1R,2S)-1-{[(ベンジルオキシ)カルボニル]アミノ}-2,3-ジヒドロ-1H-インデン-2-イル (2S)-2-シアノ-2-フルオロ-2-(4-メチルフェニル)アセタート
- (1R,2S)-1-{[(benzyloxy)carbonyl]amino}-2,3-dihydro-1H-inden-2-yl (2S)-2-cyano-2-fluoro-2-(4-methylphenyl)acetate
- (αS)-α-Cyano-α-fluoro-4-methylbenzeneacetic acid (1R)-1β-(benzyloxycarbonylamino)-2,3-dihydro-1H-indene-2β-yl ester
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