Chem
J-GLOBAL ID:200907015943632550
Nikkaji number:J1.378.300D
Octanoic acid (2R)-1-methyl-2α-[2-[2-(3-methoxyphenethyl)phenoxy]ethyl]pyrrolidine-4β-yl ester
オクタン酸(2R)-1-メチル-2α-[2-[2-(3-メトキシフェネチル)フェノキシ]エチル]ピロリジン-4β-イル
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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:
C30 H43 NO4
Molecular formula furigana:
C30-H43-N-O4
Molecular weight:
481.677
InChI:
InChI=1S/C30H43NO4/c1-4-5-6-7-8-16-30(32)35-28-22-26(31(2)23-28)19-20-34-29-15-10-9-13-25(29)18-17-24-12-11-14-27(21-24)33-3/h9-15,21,26,28H,4-8,16-20,22-23H2,1-3H3/t26-,28-/m1/s1
InChI key:
OJVUEEHEHUZXER-IXCJQBJRSA-N
SMILES:
CCCCCCCC(=O)O[C@@H]1C[C@@H](CCOc2ccccc2CCc2cccc(OC)c2)N(C)C1
Systematic name (3):
オクタン酸(2R)-1-メチル-2α-[2-[2-(3-メトキシフェネチル)フェノキシ]エチル]ピロリジン-4β-イル
(3R,5R)-5-(2-{2-[2-(3-メトキシフェニル)エチル]フェノキシ}エチル)-1-メチルピロリジン-3-イル オクタノアート
(3R,5R)-5-(2-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}ethyl)-1-methylpyrrolidin-3-yl octanoate
Other name (1):
Octanoic acid (2R)-1-methyl-2α-[2-[2-(3-methoxyphenethyl)phenoxy]ethyl]pyrrolidine-4β-yl ester
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