2-(2-phenoxybutanoylamino)terephthalic acid

Systemtic Name: 2-(2-phenoxybutanoylamino)terephthalic acid Openeye Name: 2-(2-phenoxybutanoylamino)terephthalic acid CAS Name: 2-[(1-oxo-2-phenoxybutyl)amino]terephthalic acid IUPAC Name: 2-(2-phenoxybutanoylamino)terephthalic acid Traditional Name: 2-(2-phenoxybutanoylamino)terephthalic acid Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C18H17NO6/c1-2-15(25-12-6-4-3-5-7-12)16(20)19-14-10-11(17(21)22)8-9-13(14)18(23)24/h3-10,15H,2H2,1H3,(H,19,20)(H,21,22)(H,23,24)