4-[[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[2-(4-chlorobenzyl)oxy-3-methoxy-benzyl]ammonio]methyl]benzoate Formula: C23H22ClNO4 MolecularWeight: 411.87808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C23H22ClNO4/c1-28-21-4-2-3-19(22(21)29-15-17-7-11-20(24)12-8-17)14-25-13-16-5-9-18(10-6-16)23(26)27/h2-12,25H,13-15H2,1H3,(H,26,27)