2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-p-cumenylacryloyl]amino]terephthalic acid Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-12(2)14-6-3-13(4-7-14)5-10-18(22)21-17-11-15(19(23)24)8-9-16(17)20(25)26/h3-12H,1-2H3,(H,21,22)(H,23,24)(H,25,26)/b10-5+