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Summary

Name:methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
Formula:C21 H25 N3 O4
Formal charge:0
Molecular weight:383.441 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
OpenEye OEToolkits1.7.6methyl 3-[(3-methoxyphenyl)carbonylamino]-4-(4-methylpiperazin-1-yl)benzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC)c2ccc(c(NC(=O)c1cccc(OC)c1)c2)N3CCN(C)CC3
InChIInChI1.03InChI=1S/C21H25N3O4/c1-23-9-11-24(12-10-23)19-8-7-16(21(26)28-3)14-18(19)22-20(25)15-5-4-6-17(13-15)27-2/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)
InChIKeyInChI1.03ZPLBXOVTSNRBFB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c3cccc(OC)c3)c1
SMILESCACTVS3.370COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c3cccc(OC)c3)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(c3)OC)C(=O)OC
SMILESOpenEye OEToolkits1.7.6CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(c3)OC)C(=O)OC