Chem
J-GLOBAL ID:201307082165381547
Nikkaji number:J3.211.478D
II-B08
3-[1-[3-(4-ビフェニリルアミノ)-3-オキソプロピル]-1H-1,2,3-トリアゾール-4-イル]-6-ヒドロキシ-1-メチル-2-フェニル-1H-インドール-5-カルボン酸
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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:
C33 H27 N5 O4
Molecular formula furigana:
C33-H27-N5-O4
Molecular weight:
557.610
InChI:
InChI=1S/C33H27N5O4/c1-37-28-19-29(39)26(33(41)42)18-25(28)31(32(37)23-10-6-3-7-11-23)27-20-38(36-35-27)17-16-30(40)34-24-14-12-22(13-15-24)21-8-4-2-5-9-21/h2-15,18-20,39H,16-17H2,1H3,(H,34,40)(H,41,42)
InChI key:
RATFAFAWIWHLMR-UHFFFAOYSA-N
SMILES:
Cn1c(c(c2cn(CCC(=O)Nc3ccc(cc3)c3ccccc3)nn2)c2cc(C(=O)O)c(O)cc12)c1ccccc1
Systematic name (3):
3-[1-[3-(4-ビフェニリルアミノ)-3-オキソプロピル]-1H-1,2,3-トリアゾール-4-イル]-6-ヒドロキシ-1-メチル-2-フェニル-1H-インドール-5-カルボン酸
3-{1-[2-({[1,1'-ビフェニル]-4-イル}カルバモイル)エチル]-1H-1,2,3-トリアゾール-4-イル}-6-ヒドロキシ-1-メチル-2-フェニル-1H-インドール-5-カルボン酸
3-{1-[2-({[1,1'-biphenyl]-4-yl}carbamoyl)ethyl]-1H-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid
Other name (2):
3-[1-[3-(4-Biphenylylamino)-3-oxopropyl]-1H-1,2,3-triazole-4-yl]-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid
II-B08
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