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

Systemtic Name: 4-[(5-bromanyl-2-phenethyl-phenyl)methyl-ethyl-amino]benzoic acid Openeye Name: 4-[(5-bromo-2-phenethyl-phenyl)methyl-ethyl-amino]benzoic acid CAS Name: 4-[(5-bromo-2-phenethylphenyl)methyl-ethylamino]benzoic acid IUPAC Name: 4-[(5-bromo-2-phenethylphenyl)methyl-ethylamino]benzoic acid Traditional Name: 4-[(5-bromo-2-phenethyl-benzyl)-ethyl-amino]benzoic acid Formula: C24H24BrNO2 MolecularWeight: 438.35686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)CCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)CCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H24BrNO2/c1-2-26(23-14-11-20(12-15-23)24(27)28)17-21-16-22(25)13-10-19(21)9-8-18-6-4-3-5-7-18/h3-7,10-16H,2,8-9,17H2,1H3,(H,27,28)