Chem
J-GLOBAL ID:200907062106614887
Nikkaji number:J1.587.795B
α-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4 ]nonane-7-yl ester
α-(ヒドロキシメチル)ベンゼン酢酸9-メチル-3-オキサ-9-アザトリシクロ[3.3.1.02,4 ]ノナン-7-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:
C17 H21 NO4
Molecular formula furigana:
C17-H21-N-O4
Molecular weight:
303.358
InChI:
InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
InChI key:
STECJAGHUSJQJN-UHFFFAOYSA-N
SMILES:
CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
Systematic name (3):
α-(ヒドロキシメチル)ベンゼン酢酸9-メチル-3-オキサ-9-アザトリシクロ[3.3.1.02,4 ]ノナン-7-イル
9-メチル-3-オキサ-9-アザトリシクロ[3.3.1.02,4 ]ノナン-7-イル 3-ヒドロキシ-2-フェニルプロパノアート
9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4 ]nonan-7-yl 3-hydroxy-2-phenylpropanoate
Other name (1):
α-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4 ]nonane-7-yl ester
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