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

Systemtic Name: 4-[[(5-bromanyl-2-phenylmethoxy-phenyl)amino]methyl]benzoic acid Openeye Name: 4-[(2-benzyloxy-5-bromo-anilino)methyl]benzoic acid CAS Name: 4-[(5-bromo-2-phenylmethoxyanilino)methyl]benzoic acid IUPAC Name: 4-[(5-bromo-2-phenylmethoxyanilino)methyl]benzoic acid Traditional Name: 4-[(2-benzoxy-5-bromo-anilino)methyl]benzoic acid Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H18BrNO3/c22-18-10-11-20(26-14-16-4-2-1-3-5-16)19(12-18)23-13-15-6-8-17(9-7-15)21(24)25/h1-12,23H,13-14H2,(H,24,25)