4-[(E)-3-(4-bromanyl-2-phenylmethoxy-phenyl)prop-2-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-(4-bromanyl-2-phenylmethoxy-phenyl)prop-2-enyl]benzoic acid Openeye Name: 4-[(E)-3-(2-benzyloxy-4-bromo-phenyl)allyl]benzoic acid CAS Name: 4-[(E)-3-(4-bromo-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4-bromo-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid Traditional Name: 4-[(E)-3-(2-benzoxy-4-bromo-phenyl)allyl]benzoic acid Formula: C23H19BrO3 MolecularWeight: 423.29916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)Br)C=CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)Br)/C=C/CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H19BrO3/c24-21-14-13-19(22(15-21)27-16-18-5-2-1-3-6-18)8-4-7-17-9-11-20(12-10-17)23(25)26/h1-6,8-15H,7,16H2,(H,25,26)/b8-4+