(2S)-3-(5-bromanyl-2,3-dimethoxy-phenyl)-2-phenyl-propanoate

Systemtic Name: (2S)-3-(5-bromanyl-2,3-dimethoxy-phenyl)-2-phenyl-propanoate Openeye Name: (2S)-3-(5-bromo-2,3-dimethoxy-phenyl)-2-phenyl-propanoate CAS Name: (2S)-3-(5-bromo-2,3-dimethoxyphenyl)-2-phenylpropanoate IUPAC Name: (2S)-3-(5-bromo-2,3-dimethoxyphenyl)-2-phenylpropanoate Traditional Name: (2S)-3-(5-bromo-2,3-dimethoxy-phenyl)-2-phenyl-propionate Formula: C17H16BrO4- MolecularWeight: 364.21054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)CC(C2=CC=CC=C2)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[C@@H](C2=CC=CC=C2)C(=O)[O-])OC

InChI

InChI=1S/C17H17BrO4/c1-21-15-10-13(18)8-12(16(15)22-2)9-14(17(19)20)11-6-4-3-5-7-11/h3-8,10,14H,9H2,1-2H3,(H,19,20)/p-1/t14-/m0/s1