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

Systemtic Name: 4-[[(3-methoxy-4-phenethyloxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(3-methoxy-4-phenethyloxy-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-methoxy-4-phenethyloxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-methoxy-4-phenethyloxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(3-methoxy-4-phenethyloxy-benzyl)ammonio]methyl]benzoate Formula: C24H25NO4 MolecularWeight: 391.4596

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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-])OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCCC3=CC=CC=C3

InChI

InChI=1S/C24H25NO4/c1-28-23-15-20(17-25-16-19-7-10-21(11-8-19)24(26)27)9-12-22(23)29-14-13-18-5-3-2-4-6-18/h2-12,15,25H,13-14,16-17H2,1H3,(H,26,27)