Chem
J-GLOBAL ID:200907090458837154
Nikkaji number:J1.590.896C
(3S)-N-(4-Methoxyphenyl)-3β-isopropyl-6,6-dimethyl-1,2,4-trioxane-5β-amine
(3S)-N-(4-メトキシフェニル)-3β-イソプロピル-6,6-ジメチル-1,2,4-トリオキサン-5β-アミン
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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:
C15 H23 NO4
Molecular formula furigana:
C15-H23-N-O4
Molecular weight:
281.352
InChI:
InChI=1S/C15H23NO4/c1-10(2)13-18-14(15(3,4)20-19-13)16-11-6-8-12(17-5)9-7-11/h6-10,13-14,16H,1-5H3/t13-,14+/m0/s1
InChI key:
VDBFABRLWDBIQT-UONOGXRCSA-N
SMILES:
COc1ccc(N[C@@H]2O[C@@H](OOC2(C)C)C(C)C)cc1
Systematic name (3):
(3S)-N-(4-メトキシフェニル)-3β-イソプロピル-6,6-ジメチル-1,2,4-トリオキサン-5β-アミン
(3S,5R)-N-(4-メトキシフェニル)-6,6-ジメチル-3-(プロパン-2-イル)-1,2,4-トリオキサン-5-アミン
(3S,5R)-N-(4-methoxyphenyl)-6,6-dimethyl-3-(propan-2-yl)-1,2,4-trioxan-5-amine
Other name (1):
(3S)-N-(4-Methoxyphenyl)-3β-isopropyl-6,6-dimethyl-1,2,4-trioxane-5β-amine
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