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D27

Summary
Name:2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid
Formula:C18 H17 N O5
Formal charge:0
Formula weight:327.331 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid
OpenEye OEToolkits1.5.02-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1ccccc1NC(=O)\C=C\c2cc(OC)c(OC)cc2
SMILES_CANONICALCACTVS3.341COc1ccc(/C=C/C(=O)Nc2ccccc2C(O)=O)cc1OC
SMILESCACTVS3.341COc1ccc(C=CC(=O)Nc2ccccc2C(O)=O)cc1OC
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1OC)\C=C\C(=O)Nc2ccccc2C(=O)O
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1OC)C=CC(=O)Nc2ccccc2C(=O)O
InChIInChI1.03InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+
InChIKeyInChI1.03NZHGWWWHIYHZNX-CSKARUKUSA-N

223532

PDB entries from 2024-08-07

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