4-[[[5-[(4-bromanylphenoxy)methyl]naphthalen-2-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[5-[(4-bromanylphenoxy)methyl]naphthalen-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[5-[(4-bromophenoxy)methyl]-2-naphthyl]amino]methyl]benzoic acid CAS Name: 4-[[[5-[(4-bromophenoxy)methyl]-2-naphthalenyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[5-[(4-bromophenoxy)methyl]naphthalen-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[5-[(4-bromophenoxy)methyl]-2-naphthyl]amino]methyl]benzoic acid Formula: C25H20BrNO3 MolecularWeight: 462.3352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)NCC3=CC=C(C=C3)C(=O)O)C(=C1)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC2=C(C=CC(=C2)NCC3=CC=C(C=C3)C(=O)O)C(=C1)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H20BrNO3/c26-21-8-11-23(12-9-21)30-16-20-3-1-2-19-14-22(10-13-24(19)20)27-15-17-4-6-18(7-5-17)25(28)29/h1-14,27H,15-16H2,(H,28,29)