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

Systemtic Name: 4-[[(3-ethoxy-4-phenylmethoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-benzyloxy-3-ethoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-ethoxy-4-phenylmethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-ethoxy-4-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(4-benzoxy-3-ethoxy-benzyl)ammonio]methyl]benzoate Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C24H25NO4/c1-2-28-23-14-20(10-13-22(23)29-17-19-6-4-3-5-7-19)16-25-15-18-8-11-21(12-9-18)24(26)27/h3-14,25H,2,15-17H2,1H3,(H,26,27)