Chem
J-GLOBAL ID:200907056389863691
Nikkaji number:J2.484.651B
LY-518674
LY-518674
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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:
C23 H27 N3 O4
Molecular formula furigana:
C23-H27-N3-O4
Molecular weight:
409.486
InChI:
InChI=1S/C23H27N3O4/c1-16-7-9-18(10-8-16)15-26-22(29)24-20(25-26)6-4-5-17-11-13-19(14-12-17)30-23(2,3)21(27)28/h7-14H,4-6,15H2,1-3H3,(H,27,28)(H,24,25,29)
InChI key:
PNHFDVSKDSLUFH-UHFFFAOYSA-N
SMILES:
Cc1ccc(Cn2[nH]c(CCCc3ccc(OC(C)(C)C(=O)O)cc3)nc2=O)cc1
Systematic name (3):
2-[4-[3-[2,5-ジヒドロ-1-(4-メチルベンジル)-5-オキソ-1H-1,2,4-トリアゾール-3-イル]プロピル]フェノキシ]-2-メチルプロピオン酸
2-メチル-2-[4-(3-{1-[(4-メチルフェニル)メチル]-5-オキソ-2,5-ジヒドロ-1H-1,2,4-トリアゾール-3-イル}プロピル)フェノキシ]プロパン酸
2-methyl-2-[4-(3-{1-[(4-methylphenyl)methyl]-5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl}propyl)phenoxy]propanoic acid
Other name (2):
2-[4-[3-[2,5-Dihydro-1-(4-methylbenzyl)-5-oxo-1H-1,2,4-triazole-3-yl]propyl]phenoxy]-2-methylpropionic acid
LY-518674
CAS registry number:
425671-29-0
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