5-[2-(2-bromanyl-5-phenylmethoxy-phenyl)ethyl]-7-methoxy-1,3-benzodioxol-4-ol

Systemtic Name: 5-[2-(2-bromanyl-5-phenylmethoxy-phenyl)ethyl]-7-methoxy-1,3-benzodioxol-4-ol Openeye Name: 5-[2-(5-benzyloxy-2-bromo-phenyl)ethyl]-7-methoxy-1,3-benzodioxol-4-ol CAS Name: 5-[2-(2-bromo-5-phenylmethoxyphenyl)ethyl]-7-methoxy-1,3-benzodioxol-4-ol IUPAC Name: 5-[2-(2-bromo-5-phenylmethoxyphenyl)ethyl]-7-methoxy-1,3-benzodioxol-4-ol Traditional Name: 5-[2-(5-benzoxy-2-bromo-phenyl)ethyl]-7-methoxy-1,3-benzodioxol-4-ol Formula: C23H21BrO5 MolecularWeight: 457.31384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C(=C1)CCC3=C(C=CC(=C3)OCC4=CC=CC=C4)Br)O)OCO2

Isomeric SMILES

COC1=C2C(=C(C(=C1)CCC3=C(C=CC(=C3)OCC4=CC=CC=C4)Br)O)OCO2

InChI

InChI=1S/C23H21BrO5/c1-26-20-12-17(21(25)23-22(20)28-14-29-23)8-7-16-11-18(9-10-19(16)24)27-13-15-5-3-2-4-6-15/h2-6,9-12,25H,7-8,13-14H2,1H3