2-[6-[(2-oxidanyl-2-phenyl-ethyl)amino]hexyl]pyridine-3-carboxylate

Systemtic Name: 2-[6-[(2-oxidanyl-2-phenyl-ethyl)amino]hexyl]pyridine-3-carboxylate Openeye Name: 2-[6-[(2-hydroxy-2-phenyl-ethyl)amino]hexyl]pyridine-3-carboxylate CAS Name: 2-[6-[(2-hydroxy-2-phenylethyl)amino]hexyl]-3-pyridinecarboxylate IUPAC Name: 2-[6-[(2-hydroxy-2-phenylethyl)amino]hexyl]pyridine-3-carboxylate Traditional Name: 2-[6-[(2-hydroxy-2-phenyl-ethyl)amino]hexyl]nicotinate Formula: C20H25N2O3- MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNCCCCCCC2=C(C=CC=N2)C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(CNCCCCCCC2=C(C=CC=N2)C(=O)[O-])O

InChI

InChI=1S/C20H26N2O3/c23-19(16-9-4-3-5-10-16)15-21-13-7-2-1-6-12-18-17(20(24)25)11-8-14-22-18/h3-5,8-11,14,19,21,23H,1-2,6-7,12-13,15H2,(H,24,25)/p-1