4-[2-[4-(4-phenoxybutoxy)phenyl]ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[2-[4-(4-phenoxybutoxy)phenyl]ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 4-[[2-[4-(4-phenoxybutoxy)phenyl]acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 4-[[1-oxo-2-[4-(4-phenoxybutoxy)phenyl]ethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[[2-[4-(4-phenoxybutoxy)phenyl]acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 4-[[2-[4-(4-phenoxybutoxy)phenyl]acetyl]amino]isophthalic acid Formula: C26H25NO7 MolecularWeight: 463.4792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)CC(=O)NC3=C(C=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)CC(=O)NC3=C(C=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C26H25NO7/c28-24(27-23-13-10-19(25(29)30)17-22(23)26(31)32)16-18-8-11-21(12-9-18)34-15-5-4-14-33-20-6-2-1-3-7-20/h1-3,6-13,17H,4-5,14-16H2,(H,27,28)(H,29,30)(H,31,32)