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

Systemtic Name: 3-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentyl]benzoic acid Openeye Name: 3-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]benzoic acid CAS Name: 3-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]benzoic acid IUPAC Name: 3-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]benzoic acid Traditional Name: 3-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]benzoic acid Formula: C28H32O5 MolecularWeight: 448.55068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(C(CCCC2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(C(CCCC2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)O)O)OC

InChI

InChI=1S/C28H32O5/c1-19-25(32-2)17-24(18-26(19)33-3)27(29)22(13-7-11-20-9-5-4-6-10-20)15-21-12-8-14-23(16-21)28(30)31/h4-6,8-10,12,14,16-18,22,27,29H,7,11,13,15H2,1-3H3,(H,30,31)