5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[oxo-[2-[4-(5-phenylpentoxy)phenyl]ethylamino]methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]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)CCNC(=O)C3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCOC2=CC=C(C=C2)CCNC(=O)C3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

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