3-(4-isothiocyanatophenoxy)piperidine-1-carboxylic acid

Systemtic Name: 3-(4-isothiocyanatophenoxy)piperidine-1-carboxylic acid Openeye Name: 3-(4-isothiocyanatophenoxy)piperidine-1-carboxylic acid CAS Name: 3-(4-isothiocyanatophenoxy)-1-piperidinecarboxylic acid IUPAC Name: 3-(4-isothiocyanatophenoxy)piperidine-1-carboxylic acid Traditional Name: 3-(4-isothiocyanatophenoxy)piperidine-1-carboxylic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)O)OC2=CC=C(C=C2)N=C=S

Isomeric SMILES

C1CC(CN(C1)C(=O)O)OC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C13H14N2O3S/c16-13(17)15-7-1-2-12(8-15)18-11-5-3-10(4-6-11)14-9-19/h3-6,12H,1-2,7-8H2,(H,16,17)