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

Systemtic Name: 4-[[(3-chloranyl-4-phenylmethoxy-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-benzyloxy-3-chloro-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-chloro-4-phenylmethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-chloro-4-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(4-benzoxy-3-chloro-benzyl)ammonio]methyl]benzoate Formula: C22H20ClNO3 MolecularWeight: 381.8521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])Cl

InChI

InChI=1S/C22H20ClNO3/c23-20-12-18(8-11-21(20)27-15-17-4-2-1-3-5-17)14-24-13-16-6-9-19(10-7-16)22(25)26/h1-12,24H,13-15H2,(H,25,26)