(2S)-3-(3-bromanyl-4-pentoxy-phenyl)-2-phenyl-propanoate

Systemtic Name: (2S)-3-(3-bromanyl-4-pentoxy-phenyl)-2-phenyl-propanoate Openeye Name: (2S)-3-(3-bromo-4-pentoxy-phenyl)-2-phenyl-propanoate CAS Name: (2S)-3-(3-bromo-4-pentoxyphenyl)-2-phenylpropanoate IUPAC Name: (2S)-3-(3-bromo-4-pentoxyphenyl)-2-phenylpropanoate Traditional Name: (2S)-3-(4-amoxy-3-bromo-phenyl)-2-phenyl-propionate Formula: C20H22BrO3- MolecularWeight: 390.29088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CC(C2=CC=CC=C2)C(=O)[O-])Br

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C[C@@H](C2=CC=CC=C2)C(=O)[O-])Br

InChI

InChI=1S/C20H23BrO3/c1-2-3-7-12-24-19-11-10-15(14-18(19)21)13-17(20(22)23)16-8-5-4-6-9-16/h4-6,8-11,14,17H,2-3,7,12-13H2,1H3,(H,22,23)/p-1/t17-/m0/s1