2-[carboxycarbonyl-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]amino]benzoic acid

Systemtic Name: 2-[carboxycarbonyl-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]amino]benzoic acid Openeye Name: 2-[2-[4-(hydroxymethyl)-1-piperidyl]-N-oxalo-anilino]benzoic acid CAS Name: 2-[2-[4-(hydroxymethyl)-1-piperidinyl]-N-oxaloanilino]benzoic acid IUPAC Name: 2-[2-[4-(hydroxymethyl)piperidin-1-yl]-N-oxaloanilino]benzoic acid Traditional Name: 2-[2-(4-methylolpiperidino)-N-oxalo-anilino]benzoic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)C2=CC=CC=C2N(C3=CC=CC=C3C(=O)O)C(=O)C(=O)O

Isomeric SMILES

C1CN(CCC1CO)C2=CC=CC=C2N(C3=CC=CC=C3C(=O)O)C(=O)C(=O)O

InChI

InChI=1S/C21H22N2O6/c24-13-14-9-11-22(12-10-14)17-7-3-4-8-18(17)23(19(25)21(28)29)16-6-2-1-5-15(16)20(26)27/h1-8,14,24H,9-13H2,(H,26,27)(H,28,29)