4-[[[3,5-bis(chloranyl)-4-phenylmethoxy-phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[3,5-bis(chloranyl)-4-phenylmethoxy-phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-benzyloxy-3,5-dichloro-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3,5-dichloro-4-phenylmethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3,5-dichloro-4-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(4-benzoxy-3,5-dichloro-benzyl)ammonio]methyl]benzoate Formula: C22H19Cl2NO3 MolecularWeight: 416.29716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])Cl

InChI

InChI=1S/C22H19Cl2NO3/c23-19-10-17(13-25-12-15-6-8-18(9-7-15)22(26)27)11-20(24)21(19)28-14-16-4-2-1-3-5-16/h1-11,25H,12-14H2,(H,26,27)