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

Systemtic Name: 2-[[(E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(4-allyloxy-3-methoxy-phenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(4-allyloxy-3-methoxy-phenyl)acryloyl]amino]terephthalic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO7/c1-3-10-29-17-8-4-13(11-18(17)28-2)5-9-19(23)22-16-12-14(20(24)25)6-7-15(16)21(26)27/h3-9,11-12H,1,10H2,2H3,(H,22,23)(H,24,25)(H,26,27)/b9-5+