4-[[[2,3-bis(oxidanyl)phenyl]methylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[2,3-bis(oxidanyl)phenyl]methylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(2,3-dihydroxyphenyl)methylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(2,3-dihydroxyphenyl)methylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(2,3-dihydroxyphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(2,3-dihydroxybenzyl)amino]methyl]cyclohexanecarboxylic acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNCC2=C(C(=CC=C2)O)O)C(=O)O

Isomeric SMILES

C1CC(CCC1CNCC2=C(C(=CC=C2)O)O)C(=O)O

InChI

InChI=1S/C15H21NO4/c17-13-3-1-2-12(14(13)18)9-16-8-10-4-6-11(7-5-10)15(19)20/h1-3,10-11,16-18H,4-9H2,(H,19,20)