(3S)-1-[2,4-bis(oxidanyl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-[2,4-bis(oxidanyl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(2,4-dihydroxybenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(2,4-dihydroxyphenyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2,4-dihydroxybenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2,4-dihydroxybenzoyl)nipecotate Formula: C13H14NO5- MolecularWeight: 264.25396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(C=C(C=C2)O)O)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=C(C=C(C=C2)O)O)C(=O)[O-]

InChI

InChI=1S/C13H15NO5/c15-9-3-4-10(11(16)6-9)12(17)14-5-1-2-8(7-14)13(18)19/h3-4,6,8,15-16H,1-2,5,7H2,(H,18,19)/p-1/t8-/m0/s1