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

Systemtic Name: 2-[[4-(3-methylbutoxy)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[(4-isopentyloxybenzoyl)amino]terephthalic acid CAS Name: 2-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[4-(3-methylbutoxy)benzoyl]amino]terephthalic acid Traditional Name: 2-[(4-isoamoxybenzoyl)amino]terephthalic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H21NO6/c1-12(2)9-10-27-15-6-3-13(4-7-15)18(22)21-17-11-14(19(23)24)5-8-16(17)20(25)26/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)