Chem
J-GLOBAL ID:200907048451849819
Nikkaji number:J1.139.359D
Benzoic acid [1-methyl-2-(3-methylisoxazole-5-yl)pyrrolidine-2β-ylmethyl] ester
安息香酸[1-メチル-2-(3-メチルイソオキサゾール-5-イル)ピロリジン-2β-イルメチル]
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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:
C17 H20 N2 O3
Molecular formula furigana:
C17-H20-N2-O3
Molecular weight:
300.358
InChI:
InChI=1S/C17H20N2O3/c1-13-11-15(22-18-13)17(9-6-10-19(17)2)12-21-16(20)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3/t17-/m1/s1
InChI key:
BALAOFCRKCYUAG-QGZVFWFLSA-N
SMILES:
CN1CCC[C@@]1(COC(=O)c1ccccc1)c1cc(C)no1
Systematic name (3):
安息香酸[1-メチル-2-(3-メチルイソオキサゾール-5-イル)ピロリジン-2β-イルメチル]
[(2R)-1-メチル-2-(3-メチル-1,2-オキサゾール-5-イル)ピロリジン-2-イル]メチル ベンゾアート
[(2R)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-yl]methyl benzoate
Other name (1):
Benzoic acid [1-methyl-2-(3-methylisoxazole-5-yl)pyrrolidine-2β-ylmethyl] ester
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