N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]ethanamine; 2-fluoranylbenzoic acid

Systemtic Name: N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]ethanamine; 2-fluoranylbenzoic acid Openeye Name: N-[(2-benzyloxy-5-bromo-phenyl)methyl]ethanamine; 2-fluorobenzoic acid CAS Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]ethanamine; 2-fluorobenzoic acid IUPAC Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]ethanamine; 2-fluorobenzoic acid Traditional Name: (2-benzoxy-5-bromo-benzyl)-ethyl-amine; 2-fluorobenzoic acid Formula: C23H23BrFNO3 MolecularWeight: 460.336023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.C1=CC=C(C(=C1)C(=O)O)F

Isomeric SMILES

CCNCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.C1=CC=C(C(=C1)C(=O)O)F

InChI

InChI=1S/C16H18BrNO.C7H5FO2/c1-2-18-11-14-10-15(17)8-9-16(14)19-12-13-6-4-3-5-7-13;8-6-4-2-1-3-5(6)7(9)10/h3-10,18H,2,11-12H2,1H3;1-4H,(H,9,10)