4-[[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[4-(2,4-dichlorobenzyl)oxy-3-ethoxy-benzyl]ammonio]methyl]benzoate Formula: C24H23Cl2NO4 MolecularWeight: 460.34972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H23Cl2NO4/c1-2-30-23-11-17(14-27-13-16-3-6-18(7-4-16)24(28)29)5-10-22(23)31-15-19-8-9-20(25)12-21(19)26/h3-12,27H,2,13-15H2,1H3,(H,28,29)