2-[4-[2-[(4-bromanyl-3,5-dimethoxy-phenyl)-oxidanyl-methyl]-5-phenyl-pentyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-bromanyl-3,5-dimethoxy-phenyl)-oxidanyl-methyl]-5-phenyl-pentyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-[(4-bromo-3,5-dimethoxy-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]phenyl]acetic acid CAS Name: 2-[4-[2-[(4-bromo-3,5-dimethoxyphenyl)-hydroxymethyl]-5-phenylpentyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-[(4-bromo-3,5-dimethoxyphenyl)-hydroxymethyl]-5-phenylpentyl]phenyl]acetic acid Traditional Name: 2-[4-[2-[(4-bromo-3,5-dimethoxy-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]phenyl]acetic acid Formula: C28H31BrO5 MolecularWeight: 527.44674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(C(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)CC(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(C(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)CC(=O)O)O

InChI

InChI=1S/C28H31BrO5/c1-33-24-17-23(18-25(34-2)27(24)29)28(32)22(10-6-9-19-7-4-3-5-8-19)15-20-11-13-21(14-12-20)16-26(30)31/h3-5,7-8,11-14,17-18,22,28,32H,6,9-10,15-16H2,1-2H3,(H,30,31)