Chem
J-GLOBAL ID:200907081287673205
Nikkaji number:J729.958C
Isochavicine
イソカビシン
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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:
C17 H19 NO3
Molecular formula furigana:
C17-H19-N-O3
Molecular weight:
285.343
InChI:
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2-,7-3+
InChI key:
MXXWOMGUGJBKIW-MFDSWNTHSA-N
SMILES:
O=C(/C=C/C=C\c1ccc2OCOc2c1)N1CCCCC1
Systematic name (3):
(2E,4Z)-1-ピペリジノ-5-(1,3-ベンゾジオキソール-5-イル)-2,4-ペンタジエン-1-オン
(2E,4Z)-5-(2H-1,3-ベンゾジオキソール-5-イル)-1-(ピペリジン-1-イル)ペンタ-2,4-ジエン-1-オン
(2E,4Z)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
Other name (3):
イソカビシン
Isochavicine
(2E,4Z)-1-Piperidino-5-(1,3-benzodioxol-5-yl)-2,4-pentadien-1-one
CAS registry number:
30511-77-4
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