Chem
J-GLOBAL ID:200907000385950136   Nikkaji number:J605.700D

(3S)-1-[2-[[4-Methoxy-3,3′-bis(trifluoromethyl)trityl]oxy]ethyl]piperidine-3-carboxylic acid

(3S)-1-[2-[[4-メトキシ-3,3′-ビス(トリフルオロメチル)トリチル]オキシ]エチル]ピペリジン-3-カルボン酸
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: C30H29F6NO4
Molecular formula furigana: C30-H29-F6-N-O4
Molecular weight: 581.555
InChI: InChI=1S/C30H29F6NO4/c1-40-26-13-12-23(18-25(26)30(34,35)36)28(21-8-3-2-4-9-21,22-10-5-11-24(17-22)29(31,32)33)41-16-15-37-14-6-7-20(19-37)27(38)39/h2-5,8-13,17-18,20H,6-7,14-16,19H2,1H3,(H,38,39)/t20-,28?/m0/s1
InChI key: JLPFRSGXRAQFON-CQHAJPFMSA-N
SMILES: COc1ccc(cc1C(F)(F)F)C(OCCN1CCC[C@@H](C1)C(=O)O)(c1ccccc1)c1cccc(c1)C(F)(F)F
Systematic name  (3):
  • (3S)-1-[2-[[4-メトキシ-3,3′-ビス(トリフルオロメチル)トリチル]オキシ]エチル]ピペリジン-3-カルボン酸
  • (3S)-1-(2-{[4-メトキシ-3-(トリフルオロメチル)フェニル](フェニル)[3-(トリフルオロメチル)フェニル]メトキシ}エチル)ピペリジン-3-カルボン酸
  • (3S)-1-(2-{[4-methoxy-3-(trifluoromethyl)phenyl](phenyl)[3-(trifluoromethyl)phenyl]methoxy}ethyl)piperidine-3-carboxylic acid
Other name (1):
  • (3S)-1-[2-[[4-Methoxy-3,3′-bis(trifluoromethyl)trityl]oxy]ethyl]piperidine-3-carboxylic acid
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