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

Systemtic Name: 2-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(3-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(3-methoxy-4-propoxy-phenyl)acryloyl]amino]terephthalic acid Formula: C21H21NO7 MolecularWeight: 399.39394

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7/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/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)/b9-5+