ethanedioic acid; 2-[6-[(2-oxidanyl-2-phenyl-ethyl)amino]hexyl]benzoate

Systemtic Name: ethanedioic acid; 2-[6-[(2-oxidanyl-2-phenyl-ethyl)amino]hexyl]benzoate Openeye Name: 2-[6-[(2-hydroxy-2-phenyl-ethyl)amino]hexyl]benzoate; oxalic acid CAS Name: 2-[6-[(2-hydroxy-2-phenylethyl)amino]hexyl]benzoate; oxalic acid IUPAC Name: 2-[6-[(2-hydroxy-2-phenylethyl)amino]hexyl]benzoate; oxalic acid Traditional Name: 2-[6-[(2-hydroxy-2-phenyl-ethyl)amino]hexyl]benzoate; oxalic acid Formula: C23H28NO7- MolecularWeight: 430.47092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNCCCCCCC2=CC=CC=C2C(=O)[O-])O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CNCCCCCCC2=CC=CC=C2C(=O)[O-])O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27NO3.C2H2O4/c23-20(18-12-5-3-6-13-18)16-22-15-9-2-1-4-10-17-11-7-8-14-19(17)21(24)25;3-1(4)2(5)6/h3,5-8,11-14,20,22-23H,1-2,4,9-10,15-16H2,(H,24,25);(H,3,4)(H,5,6)/p-1