2-[(4-hexoxyphenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4-hexoxyphenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(4-hexoxybenzoyl)amino]terephthalic acid CAS Name: 2-[[(4-hexoxyphenyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(4-hexoxybenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-hexoxybenzoyl)amino]terephthalic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H23NO6/c1-2-3-4-5-12-28-16-9-6-14(7-10-16)19(23)22-18-13-15(20(24)25)8-11-17(18)21(26)27/h6-11,13H,2-5,12H2,1H3,(H,22,23)(H,24,25)(H,26,27)