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U68

Summary
Name:(4-nitrophenyl) (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate
Formula:C20 H19 N O5
Formal charge:0
Formula weight:353.369 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[4-[bis(oxidanyl)amino]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H19NO5/c1-13(20(22)26-18-9-6-17(7-10-18)21(23)24)14-3-4-16-12-19(25-2)8-5-15(16)11-14/h3-13,23-24H,1-2H3/t13-/m0/s1
InChIKeyInChI1.03DDQGDHCOPRIKDU-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Oc3ccc(cc3)N(O)O
SMILESCACTVS3.385COc1ccc2cc(ccc2c1)[CH](C)C(=O)Oc3ccc(cc3)N(O)O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)N(O)O
SMILESOpenEye OEToolkits2.0.7CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)N(O)O

222415

数据于2024-07-10公开中

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