2-[4-[[(3-bromanyl-2-methyl-phenyl)-propyl-amino]methyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[(3-bromanyl-2-methyl-phenyl)-propyl-amino]methyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(3-bromo-2-methyl-N-propyl-anilino)methyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[(3-bromo-2-methyl-N-propylanilino)methyl]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[(3-bromo-2-methyl-N-propylanilino)methyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[(3-bromo-2-methyl-N-propyl-anilino)methyl]-2-methyl-phenoxy]acetic acid Formula: C20H24BrNO3 MolecularWeight: 406.31346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC(=C(C=C1)OCC(=O)O)C)C2=C(C(=CC=C2)Br)C

Isomeric SMILES

CCCN(CC1=CC(=C(C=C1)OCC(=O)O)C)C2=C(C(=CC=C2)Br)C

InChI

InChI=1S/C20H24BrNO3/c1-4-10-22(18-7-5-6-17(21)15(18)3)12-16-8-9-19(14(2)11-16)25-13-20(23)24/h5-9,11H,4,10,12-13H2,1-3H3,(H,23,24)