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4-[[(2-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate

4-[[(2-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate

Systemtic Name:4-[[(2-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate
Openeye Name:4-[[(2-benzyloxyphenyl)methylammonio]methyl]benzoate
CAS Name:4-[[(2-phenylmethoxyphenyl)methylammonio]methyl]benzoate
IUPAC Name:4-[[(2-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate
Traditional Name:4-[[(2-benzoxybenzyl)ammonio]methyl]benzoate
Formula: C22H21NO3
MolecularWeight: 347.40704
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]


InChI

InChI=1S/C22H21NO3/c24-22(25)19-12-10-17(11-13-19)14-23-15-20-8-4-5-9-21(20)26-16-18-6-2-1-3-7-18/h1-13,23H,14-16H2,(H,24,25)


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