4-(3-methylbutylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(3-methylbutylamino)benzene-1,3-dicarboxylic acid Openeye Name: 4-(isopentylamino)benzene-1,3-dicarboxylic acid CAS Name: 4-(3-methylbutylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(3-methylbutylamino)benzene-1,3-dicarboxylic acid Traditional Name: 4-(isoamylamino)isophthalic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCNC1=C(C=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C13H17NO4/c1-8(2)5-6-14-11-4-3-9(12(15)16)7-10(11)13(17)18/h3-4,7-8,14H,5-6H2,1-2H3,(H,15,16)(H,17,18)