4-(2-methylpropylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(2-methylpropylamino)benzene-1,3-dicarboxylic acid Openeye Name: 4-(isobutylamino)benzene-1,3-dicarboxylic acid CAS Name: 4-(2-methylpropylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(2-methylpropylamino)benzene-1,3-dicarboxylic acid Traditional Name: 4-(isobutylamino)isophthalic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CNC1=C(C=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C12H15NO4/c1-7(2)6-13-10-4-3-8(11(14)15)5-9(10)12(16)17/h3-5,7,13H,6H2,1-2H3,(H,14,15)(H,16,17)