Chem
J-GLOBAL ID:200907005613088565
Nikkaji number:J1.324.387E
N-[(9S)-Cinchonan-9-yl]-4-phenylbutanamide
N-[(9S)-シンコナン-9-イル]-4-フェニルブタンアミド
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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:
C29 H33 N3 O
Molecular formula furigana:
C29-H33-N3-O
Molecular weight:
439.603
InChI:
InChI=1S/C29H33N3O/c1-2-22-20-32-18-16-23(22)19-27(32)29(25-15-17-30-26-13-7-6-12-24(25)26)31-28(33)14-8-11-21-9-4-3-5-10-21/h2-7,9-10,12-13,15,17,22-23,27,29H,1,8,11,14,16,18-20H2,(H,31,33)/t22-,23-,27+,29-/m0/s1
InChI key:
NXENPFIYBYXOLR-MGDJTOPQSA-N
SMILES:
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](NC(=O)CCCc1ccccc1)c1ccnc2ccccc12
Systematic name (3):
N-[(9S)-シンコナン-9-イル]-4-フェニルブタンアミド
N-[(S)-[(2R,4S,5R)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル](キノリン-4-イル)メチル]-4-フェニルブタンアミド
N-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methyl]-4-phenylbutanamide
Other name (1):
N-[(9S)-Cinchonan-9-yl]-4-phenylbutanamide
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