5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[1-oxo-3-[4-(5-phenylpentoxy)phenyl]propyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]isophthalic acid Formula: C28H29NO6 MolecularWeight: 475.53296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCOC2=CC=C(C=C2)CCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCOC2=CC=C(C=C2)CCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C28H29NO6/c30-26(29-24-18-22(27(31)32)17-23(19-24)28(33)34)15-12-21-10-13-25(14-11-21)35-16-6-2-5-9-20-7-3-1-4-8-20/h1,3-4,7-8,10-11,13-14,17-19H,2,5-6,9,12,15-16H2,(H,29,30)(H,31,32)(H,33,34)