Chem
J-GLOBAL ID:200907049730307143
Nikkaji number:J576.549H
2-[4-[3-(4-Cyanophenyl)ureido]phenoxy]-2-methylpropionic acid
2-[4-[3-(4-シアノフェニル)ウレイド]フェノキシ]-2-メチルプロピオン酸
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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:
C18 H17 N3 O4
Molecular formula furigana:
C18-H17-N3-O4
Molecular weight:
339.351
InChI:
InChI=1S/C18H17N3O4/c1-18(2,16(22)23)25-15-9-7-14(8-10-15)21-17(24)20-13-5-3-12(11-19)4-6-13/h3-10H,1-2H3,(H,22,23)(H2,20,21,24)
InChI key:
AYTQKZHWJMQGGX-UHFFFAOYSA-N
SMILES:
CC(C)(Oc1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1)C(=O)O
Systematic name (3):
2-[4-[3-(4-シアノフェニル)ウレイド]フェノキシ]-2-メチルプロピオン酸
2-(4-{[(4-シアノフェニル)カルバモイル]アミノ}フェノキシ)-2-メチルプロパン酸
2-(4-{[(4-cyanophenyl)carbamoyl]amino}phenoxy)-2-methylpropanoic acid
Other name (1):
2-[4-[3-(4-Cyanophenyl)ureido]phenoxy]-2-methylpropionic acid
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