2-[(4-carboxyphenyl)methyl-pentanoyl-amino]pyridine-4-carboxylic acid

Systemtic Name: 2-[(4-carboxyphenyl)methyl-pentanoyl-amino]pyridine-4-carboxylic acid Openeye Name: 2-[(4-carboxyphenyl)methyl-pentanoyl-amino]pyridine-4-carboxylic acid CAS Name: 2-[(4-carboxyphenyl)methyl-(1-oxopentyl)amino]-4-pyridinecarboxylic acid IUPAC Name: 2-[(4-carboxyphenyl)methyl-pentanoylamino]pyridine-4-carboxylic acid Traditional Name: 2-[(4-carboxybenzyl)-valeryl-amino]isonicotinic acid Formula: C19H20N2O5 MolecularWeight: 356.3725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=NC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=NC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H20N2O5/c1-2-3-4-17(22)21(16-11-15(19(25)26)9-10-20-16)12-13-5-7-14(8-6-13)18(23)24/h5-11H,2-4,12H2,1H3,(H,23,24)(H,25,26)