3-[[4-[(4-bromanyl-3-methyl-phenyl)iminomethyl]-2-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[(4-bromanyl-3-methyl-phenyl)iminomethyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[(4-bromo-3-methyl-phenyl)iminomethyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[(4-bromo-3-methyl-phenyl)iminomethyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C23H20BrNO4 MolecularWeight: 454.3132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)OC)Br

InChI

InChI=1S/C23H20BrNO4/c1-15-10-19(7-8-20(15)24)25-13-16-6-9-21(22(12-16)28-2)29-14-17-4-3-5-18(11-17)23(26)27/h3-13H,14H2,1-2H3,(H,26,27)