Chem
J-GLOBAL ID:200907052447719037
Nikkaji number:J1.997.428F
4-Hydroxybenzoic acid 3β-[(4-hydroxybenzoyl)amino]hexahydro-1H-azepine-4α-yl ester
(3R,4R)-3-(4-ヒドロキシベンズアミド)アゼパン-4-イル 4-ヒドロキシベンゾアート
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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:
C20 H22 N2 O5
Molecular formula furigana:
C20-H22-N2-O5
Molecular weight:
370.405
InChI:
InChI=1S/C20H22N2O5/c23-15-7-3-13(4-8-15)19(25)22-17-12-21-11-1-2-18(17)27-20(26)14-5-9-16(24)10-6-14/h3-10,17-18,21,23-24H,1-2,11-12H2,(H,22,25)/t17-,18-/m1/s1
InChI key:
FZJQHARRQUNVGZ-QZTJIDSGSA-N
SMILES:
Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1ccc(O)cc1
Systematic name (3):
4-ヒドロキシ安息香酸3β-[(4-ヒドロキシベンゾイル)アミノ]ヘキサヒドロ-1H-アゼピン-4α-イル
(3R,4R)-3-(4-ヒドロキシベンズアミド)アゼパン-4-イル 4-ヒドロキシベンゾアート
(3R,4R)-3-(4-hydroxybenzamido)azepan-4-yl 4-hydroxybenzoate
Other name (1):
4-Hydroxybenzoic acid 3β-[(4-hydroxybenzoyl)amino]hexahydro-1H-azepine-4α-yl ester
Thsaurus map:
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