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YKF

概要
表記:methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate
組成式:C23 H21 N3 O5
電荷:0
化学式量:419.43 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.01methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate
OpenEye OEToolkits2.0.7methyl ~{N}-[methanoyl-[3-methyl-4-[(3-phenoxyphenyl)carbonylamino]phenyl]amino]carbamate

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O=C(OC)NN(C=O)c1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2)c(C)c1
InChIInChI1.06InChI=1S/C23H21N3O5/c1-16-13-18(26(15-27)25-23(29)30-2)11-12-21(16)24-22(28)17-7-6-10-20(14-17)31-19-8-4-3-5-9-19/h3-15H,1-2H3,(H,24,28)(H,25,29)
InChIKeyInChI1.06IFPAECUTANEMNN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)NN(C=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C)c1
SMILESCACTVS3.385COC(=O)NN(C=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(ccc1NC(=O)c2cccc(c2)Oc3ccccc3)N(C=O)NC(=O)OC
SMILESOpenEye OEToolkits2.0.7Cc1cc(ccc1NC(=O)c2cccc(c2)Oc3ccccc3)N(C=O)NC(=O)OC

227344

件を2024-11-13に公開中

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