2-[[(E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)acryloyl]amino]terephthalic acid Formula: C21H20ClNO7 MolecularWeight: 433.839

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C21H20ClNO7/c1-3-8-30-19-15(22)9-12(10-17(19)29-2)4-7-18(24)23-16-11-13(20(25)26)5-6-14(16)21(27)28/h4-7,9-11H,3,8H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/b7-4+