5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[2-(4-isobutylphenyl)propanoylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[2-(4-isobutylphenyl)propanoylamino]isophthalic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H23NO5/c1-12(2)8-14-4-6-15(7-5-14)13(3)19(23)22-18-10-16(20(24)25)9-17(11-18)21(26)27/h4-7,9-13H,8H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)