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

Systemtic Name: 4-[[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[4-(2-chlorobenzyl)oxy-3-ethoxy-benzyl]ammonio]methyl]benzoate Formula: C24H24ClNO4 MolecularWeight: 425.90466

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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=CC=CC=C3Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=CC=CC=C3Cl

InChI

InChI=1S/C24H24ClNO4/c1-2-29-23-13-18(15-26-14-17-7-10-19(11-8-17)24(27)28)9-12-22(23)30-16-20-5-3-4-6-21(20)25/h3-13,26H,2,14-16H2,1H3,(H,27,28)