4-[[(3-methoxy-2-phenylmethoxy-phenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3-methoxy-2-phenylmethoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(2-benzyloxy-3-methoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-methoxy-2-phenylmethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-methoxy-2-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(2-benzoxy-3-methoxy-benzyl)ammonio]methyl]benzoate Formula: C23H23NO4 MolecularWeight: 377.43302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

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