2-[(4-butoxy-3-methoxy-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4-butoxy-3-methoxy-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(4-butoxy-3-methoxy-benzoyl)amino]terephthalic acid CAS Name: 2-[[(4-butoxy-3-methoxyphenyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(4-butoxy-3-methoxybenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-butoxy-3-methoxy-benzoyl)amino]terephthalic acid Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C20H21NO7/c1-3-4-9-28-16-8-6-12(11-17(16)27-2)18(22)21-15-10-13(19(23)24)5-7-14(15)20(25)26/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)