4-[[(3-methoxy-4-phenylmethoxy-phenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3-methoxy-4-phenylmethoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-benzyloxy-3-methoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-methoxy-4-phenylmethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-methoxy-4-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(4-benzoxy-3-methoxy-benzyl)ammonio]methyl]benzoate Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C23H23NO4/c1-27-22-13-19(9-12-21(22)28-16-18-5-3-2-4-6-18)15-24-14-17-7-10-20(11-8-17)23(25)26/h2-13,24H,14-16H2,1H3,(H,25,26)