4-[[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(4-carboxyphenyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(4-carboxyphenyl)amino]methyl]benzoic acid Openeye Name: 4-[[N-[(2-benzyloxy-5-bromo-phenyl)methyl]-4-carboxy-anilino]methyl]benzoic acid CAS Name: 4-[[N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-4-carboxyanilino]methyl]benzoic acid IUPAC Name: 4-[[N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-4-carboxyanilino]methyl]benzoic acid Traditional Name: 4-[(N-(2-benzoxy-5-bromo-benzyl)-4-carboxy-anilino)methyl]benzoic acid Formula: C29H24BrNO5 MolecularWeight: 546.40856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CN(CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CN(CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H24BrNO5/c30-25-12-15-27(36-19-21-4-2-1-3-5-21)24(16-25)18-31(26-13-10-23(11-14-26)29(34)35)17-20-6-8-22(9-7-20)28(32)33/h1-16H,17-19H2,(H,32,33)(H,34,35)