4-[3-[4-(3,4-dimethylphenyl)-4-oxidanyl-butoxy]-4-methoxy-phenyl]-3-methyl-benzoic acid

Systemtic Name: 4-[3-[4-(3,4-dimethylphenyl)-4-oxidanyl-butoxy]-4-methoxy-phenyl]-3-methyl-benzoic acid Openeye Name: 4-[3-[4-(3,4-dimethylphenyl)-4-hydroxy-butoxy]-4-methoxy-phenyl]-3-methyl-benzoic acid CAS Name: 4-[3-[4-(3,4-dimethylphenyl)-4-hydroxybutoxy]-4-methoxyphenyl]-3-methylbenzoic acid IUPAC Name: 4-[3-[4-(3,4-dimethylphenyl)-4-hydroxybutoxy]-4-methoxyphenyl]-3-methylbenzoic acid Traditional Name: 4-[3-[4-(3,4-dimethylphenyl)-4-hydroxy-butoxy]-4-methoxy-phenyl]-3-methyl-benzoic acid Formula: C27H30O5 MolecularWeight: 434.5241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CCCOC2=C(C=CC(=C2)C3=C(C=C(C=C3)C(=O)O)C)OC)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(CCCOC2=C(C=CC(=C2)C3=C(C=C(C=C3)C(=O)O)C)OC)O)C

InChI

InChI=1S/C27H30O5/c1-17-7-8-21(14-18(17)2)24(28)6-5-13-32-26-16-20(10-12-25(26)31-4)23-11-9-22(27(29)30)15-19(23)3/h7-12,14-16,24,28H,5-6,13H2,1-4H3,(H,29,30)