(phenylmethyl) 4-[[[2,5-bis(oxidanyl)phenyl]carbonylamino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[[2,5-bis(oxidanyl)phenyl]carbonylamino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(2,5-dihydroxybenzoyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[(2,5-dihydroxyphenyl)-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(2,5-dihydroxybenzoyl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[(gentisoylamino)methyl]piperidine-1-carboxylic acid benzyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C2=C(C=CC(=C2)O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CNC(=O)C2=C(C=CC(=C2)O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5/c24-17-6-7-19(25)18(12-17)20(26)22-13-15-8-10-23(11-9-15)21(27)28-14-16-4-2-1-3-5-16/h1-7,12,15,24-25H,8-11,13-14H2,(H,22,26)