Chem
J-GLOBAL ID:201107043568116479
Nikkaji number:J2.944.638E
6-Hydroxy-8-butyl-2,5-dihydro-1H-1-benzoazepine-1-carboxylic acid methyl ester
6-ヒドロキシ-8-ブチル-2,5-ジヒドロ-1H-1-ベンゾアゼピン-1-カルボン酸メチル
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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:
C16 H21 NO3
Molecular formula furigana:
C16-H21-N-O3
Molecular weight:
275.348
InChI:
InChI=1S/C16H21NO3/c1-3-4-7-12-10-14-13(15(18)11-12)8-5-6-9-17(14)16(19)20-2/h5-6,10-11,18H,3-4,7-9H2,1-2H3
InChI key:
WCEZXYRGIWOGTK-UHFFFAOYSA-N
SMILES:
CCCCc1cc(O)c2CC=CCN(C(=O)OC)c2c1
Systematic name (3):
6-ヒドロキシ-8-ブチル-2,5-ジヒドロ-1H-1-ベンゾアゼピン-1-カルボン酸メチル
メチル 8-ブチル-6-ヒドロキシ-2,5-ジヒドロ-1H-1-ベンゾアゼピン-1-カルボキシラート
methyl 8-butyl-6-hydroxy-2,5-dihydro-1H-1-benzazepine-1-carboxylate
Other name (1):
6-Hydroxy-8-butyl-2,5-dihydro-1H-1-benzoazepine-1-carboxylic acid methyl ester
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