4-[(5-bromanyl-2-phenethyl-phenyl)methylamino]benzoic acid

Systemtic Name: 4-[(5-bromanyl-2-phenethyl-phenyl)methylamino]benzoic acid Openeye Name: 4-[(5-bromo-2-phenethyl-phenyl)methylamino]benzoic acid CAS Name: 4-[(5-bromo-2-phenethylphenyl)methylamino]benzoic acid IUPAC Name: 4-[(5-bromo-2-phenethylphenyl)methylamino]benzoic acid Traditional Name: 4-[(5-bromo-2-phenethyl-benzyl)amino]benzoic acid Formula: C22H20BrNO2 MolecularWeight: 410.3037

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=C(C=C2)Br)CNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=C(C=C2)Br)CNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H20BrNO2/c23-20-11-8-17(7-6-16-4-2-1-3-5-16)19(14-20)15-24-21-12-9-18(10-13-21)22(25)26/h1-5,8-14,24H,6-7,15H2,(H,25,26)