Chem
J-GLOBAL ID:200907041882646783
Nikkaji number:J2.007.700J
(3S)-N,N-Bis(4-methoxybenzyl)-1-phenyl-1-heptyne-3-amine
(3S)-N,N-ビス(4-メトキシベンジル)-1-フェニル-1-ヘプチン-3-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:
C29 H33 NO2
Molecular formula furigana:
C29-H33-N-O2
Molecular weight:
427.588
InChI:
InChI=1S/C29H33NO2/c1-4-5-11-27(17-12-24-9-7-6-8-10-24)30(22-25-13-18-28(31-2)19-14-25)23-26-15-20-29(32-3)21-16-26/h6-10,13-16,18-21,27H,4-5,11,22-23H2,1-3H3/t27-/m0/s1
InChI key:
KWYPESXLNNSEKG-MHZLTWQESA-N
SMILES:
CCCC[C@@H](C#Cc1ccccc1)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
Systematic name (3):
(3S)-N,N-ビス(4-メトキシベンジル)-1-フェニル-1-ヘプチン-3-アミン
ビス[(4-メトキシフェニル)メチル][(3S)-1-フェニルヘプタ-1-イン-3-イル]アミン
bis[(4-methoxyphenyl)methyl][(3S)-1-phenylhept-1-yn-3-yl]amine
Other name (1):
(3S)-N,N-Bis(4-methoxybenzyl)-1-phenyl-1-heptyne-3-amine
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