(2S)-3-(3-bromanyl-4-butoxy-phenyl)-2-phenyl-propanoic acid

Systemtic Name: (2S)-3-(3-bromanyl-4-butoxy-phenyl)-2-phenyl-propanoic acid Openeye Name: (2S)-3-(3-bromo-4-butoxy-phenyl)-2-phenyl-propanoic acid CAS Name: (2S)-3-(3-bromo-4-butoxyphenyl)-2-phenylpropanoic acid IUPAC Name: (2S)-3-(3-bromo-4-butoxyphenyl)-2-phenylpropanoic acid Traditional Name: (2S)-3-(3-bromo-4-butoxy-phenyl)-2-phenyl-propionic acid Formula: C19H21BrO3 MolecularWeight: 377.27224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrO3/c1-2-3-11-23-18-10-9-14(13-17(18)20)12-16(19(21)22)15-7-5-4-6-8-15/h4-10,13,16H,2-3,11-12H2,1H3,(H,21,22)/t16-/m0/s1