5-(2-propylpentanoylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-propylpentanoylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2-propylpentanoylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-[(1-oxo-2-propylpentyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-(2-propylpentanoylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2-propylpentanoylamino)isophthalic acid Formula: C16H21NO5 MolecularWeight: 307.34164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCC(CCC)C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO5/c1-3-5-10(6-4-2)14(18)17-13-8-11(15(19)20)7-12(9-13)16(21)22/h7-10H,3-6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)