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

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

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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-])OCC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=CC(=CC=C3)Cl

InChI

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