2-[[(E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(3-ethoxy-4-propoxy-phenyl)acryloyl]amino]terephthalic acid Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OCC

InChI

InChI=1S/C22H23NO7/c1-3-11-30-18-9-5-14(12-19(18)29-4-2)6-10-20(24)23-17-13-15(21(25)26)7-8-16(17)22(27)28/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/b10-6+