(2S)-3-(5-bromanyl-2-butoxy-phenyl)-2-phenyl-propanoic acid

Systemtic Name: (2S)-3-(5-bromanyl-2-butoxy-phenyl)-2-phenyl-propanoic acid Openeye Name: (2S)-3-(5-bromo-2-butoxy-phenyl)-2-phenyl-propanoic acid CAS Name: (2S)-3-(5-bromo-2-butoxyphenyl)-2-phenylpropanoic acid IUPAC Name: (2S)-3-(5-bromo-2-butoxyphenyl)-2-phenylpropanoic acid Traditional Name: (2S)-3-(5-bromo-2-butoxy-phenyl)-2-phenyl-propionic acid Formula: C19H21BrO3 MolecularWeight: 377.27224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)CC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C[C@@H](C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H21BrO3/c1-2-3-11-23-18-10-9-16(20)12-15(18)13-17(19(21)22)14-7-5-4-6-8-14/h4-10,12,17H,2-3,11,13H2,1H3,(H,21,22)/t17-/m0/s1