3-[3-bromanyl-4-oxidanyl-5-(3-phenylpropanoyl)phenyl]propanoic acid

Systemtic Name: 3-[3-bromanyl-4-oxidanyl-5-(3-phenylpropanoyl)phenyl]propanoic acid Openeye Name: 3-[3-bromo-4-hydroxy-5-(3-phenylpropanoyl)phenyl]propanoic acid CAS Name: 3-[3-bromo-4-hydroxy-5-(1-oxo-3-phenylpropyl)phenyl]propanoic acid IUPAC Name: 3-[3-bromo-4-hydroxy-5-(3-phenylpropanoyl)phenyl]propanoic acid Traditional Name: 3-(3-bromo-5-hydrocinnamoyl-4-hydroxy-phenyl)propionic acid Formula: C18H17BrO4 MolecularWeight: 377.22918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)C2=CC(=CC(=C2O)Br)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)C2=CC(=CC(=C2O)Br)CCC(=O)O

InChI

InChI=1S/C18H17BrO4/c19-15-11-13(7-9-17(21)22)10-14(18(15)23)16(20)8-6-12-4-2-1-3-5-12/h1-5,10-11,23H,6-9H2,(H,21,22)