2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-1-oxo-3-(2,4,5-trimethoxyphenyl)prop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-asarylacryloyl]amino]terephthalic acid Formula: C20H19NO8 MolecularWeight: 401.36676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC)OC

InChI

InChI=1S/C20H19NO8/c1-27-15-10-17(29-3)16(28-2)9-11(15)5-7-18(22)21-14-8-12(19(23)24)4-6-13(14)20(25)26/h4-10H,1-3H3,(H,21,22)(H,23,24)(H,25,26)/b7-5+