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

Systemtic Name: 4-[[(3-ethoxy-2-phenylmethoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(2-benzyloxy-3-ethoxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-ethoxy-2-phenylmethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-ethoxy-2-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(2-benzoxy-3-ethoxy-benzyl)ammonio]methyl]benzoate Formula: C24H25NO4 MolecularWeight: 391.4596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

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