4-[[(3-phenylmethoxyphenyl)methylazaniumyl]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[(3-phenylmethoxyphenyl)methylazaniumyl]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(3-benzyloxyphenyl)methylammonio]methyl]cyclohexanecarboxylate CAS Name: 4-[[(3-phenylmethoxyphenyl)methylammonio]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(3-phenylmethoxyphenyl)methylazaniumyl]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-benzoxybenzyl)ammonio]methyl]cyclohexanecarboxylate Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C[NH2+]CC2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1C[NH2+]CC2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H27NO3/c24-22(25)20-11-9-17(10-12-20)14-23-15-19-7-4-8-21(13-19)26-16-18-5-2-1-3-6-18/h1-8,13,17,20,23H,9-12,14-16H2,(H,24,25)