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

Systemtic Name: 2-[4-[[(3-bromanyl-2-methyl-phenyl)-butyl-amino]methyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(3-bromo-N-butyl-2-methyl-anilino)methyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[(3-bromo-N-butyl-2-methylanilino)methyl]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[(3-bromo-N-butyl-2-methylanilino)methyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[(3-bromo-N-butyl-2-methyl-anilino)methyl]-2-methyl-phenoxy]acetic acid Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrNO3/c1-4-5-11-23(19-8-6-7-18(22)16(19)3)13-17-9-10-20(15(2)12-17)26-14-21(24)25/h6-10,12H,4-5,11,13-14H2,1-3H3,(H,24,25)