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

Systemtic Name: 4-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-ethyl-amino]benzoic acid Openeye Name: 4-[2-(2-benzyloxy-5-bromo-phenyl)ethyl-ethyl-amino]benzoic acid CAS Name: 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]benzoic acid IUPAC Name: 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]benzoic acid Traditional Name: 4-[2-(2-benzoxy-5-bromo-phenyl)ethyl-ethyl-amino]benzoic acid Formula: C24H24BrNO3 MolecularWeight: 454.35626

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H24BrNO3/c1-2-26(22-11-8-19(9-12-22)24(27)28)15-14-20-16-21(25)10-13-23(20)29-17-18-6-4-3-5-7-18/h3-13,16H,2,14-15,17H2,1H3,(H,27,28)