2-[5-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)methoxy]phenyl]ethanoic acid

Systemtic Name: 2-[5-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)methoxy]phenyl]ethanoic acid Openeye Name: 2-[5-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid CAS Name: 2-[5-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid IUPAC Name: 2-[5-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid Traditional Name: 2-[5-(1,3-benzodioxol-5-yl)-2-(4-tert-butylbenzyl)oxy-phenyl]acetic acid Formula: C26H26O5 MolecularWeight: 418.48164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC4=C(C=C3)OCO4)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC4=C(C=C3)OCO4)CC(=O)O

InChI

InChI=1S/C26H26O5/c1-26(2,3)21-8-4-17(5-9-21)15-29-22-10-6-18(12-20(22)14-25(27)28)19-7-11-23-24(13-19)31-16-30-23/h4-13H,14-16H2,1-3H3,(H,27,28)