Chem
J-GLOBAL ID:200907022366881186
Nikkaji number:J1.472.896A
(2S)-1-(2-Ethylphenoxy)-3-(1,2,3,4-tetrahydronaphthalene-1-ylamino)propane-2-ol
(2S)-1-(2-エチルフェノキシ)-3-(1,2,3,4-テトラヒドロナフタレン-1-イルアミノ)プロパン-2-オール
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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:
C21 H27 NO2
Molecular formula furigana:
C21-H27-N-O2
Molecular weight:
325.452
InChI:
InChI=1S/C21H27NO2/c1-2-16-8-4-6-13-21(16)24-15-18(23)14-22-20-12-7-10-17-9-3-5-11-19(17)20/h3-6,8-9,11,13,18,20,22-23H,2,7,10,12,14-15H2,1H3/t18-,20?/m0/s1
InChI key:
VFDHMSXXELYMRW-LROBGIAVSA-N
SMILES:
CCc1ccccc1OC[C@@H](O)CNC1CCCc2ccccc12
Systematic name (3):
(2S)-1-(2-エチルフェノキシ)-3-(1,2,3,4-テトラヒドロナフタレン-1-イルアミノ)プロパン-2-オール
(2S)-1-(2-エチルフェノキシ)-3-[(1,2,3,4-テトラヒドロナフタレン-1-イル)アミノ]プロパン-2-オール
(2S)-1-(2-ethylphenoxy)-3-[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-2-ol
Other name (1):
(2S)-1-(2-Ethylphenoxy)-3-(1,2,3,4-tetrahydronaphthalene-1-ylamino)propane-2-ol
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