2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]terephthalic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO7/c1-13(2)12-30-18-8-4-14(10-19(18)29-3)5-9-20(24)23-17-11-15(21(25)26)6-7-16(17)22(27)28/h4-11,13H,12H2,1-3H3,(H,23,24)(H,25,26)(H,27,28)/b9-5+