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L35

概要
表記:2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID
組成式:C17 H16 Cl2 N2 O4
電荷:0
化学式量:383.226 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.042-(4-{[(3,5-dichlorophenyl)carbamoyl]amino}phenoxy)-2-methylpropanoic acid
OpenEye OEToolkits1.5.02-[4-[(3,5-dichlorophenyl)carbamoylamino]phenoxy]-2-methyl-propanoic acid

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04Clc2cc(NC(=O)Nc1ccc(OC(C(=O)O)(C)C)cc1)cc(Cl)c2
SMILES_CANONICALCACTVS3.341CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O
SMILESCACTVS3.341CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl
SMILESOpenEye OEToolkits1.5.0CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl
InChIInChI1.03InChI=1S/C17H16Cl2N2O4/c1-17(2,15(22)23)25-14-5-3-12(4-6-14)20-16(24)21-13-8-10(18)7-11(19)9-13/h3-9H,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyInChI1.03OYJPTSMWFKGZJM-UHFFFAOYSA-N

222415

件を2024-07-10に公開中

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