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

Systemtic Name: 4-[[[2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[2-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[2-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]ammonio]methyl]benzoate Formula: C23H21ClFNO4 MolecularWeight: 429.868543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClFNO4/c1-29-21-4-2-3-17(13-26-12-15-5-7-16(8-6-15)23(27)28)22(21)30-14-18-9-10-19(25)11-20(18)24/h2-11,26H,12-14H2,1H3,(H,27,28)