2-(1,3-benzodioxol-5-yl)-2-[4-methoxycarbonyl-2-(2-methylpropyl)phenoxy]ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[4-methoxycarbonyl-2-(2-methylpropyl)phenoxy]ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(2-isobutyl-4-methoxycarbonyl-phenoxy)acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[4-methoxycarbonyl-2-(2-methylpropyl)phenoxy]acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[4-methoxycarbonyl-2-(2-methylpropyl)phenoxy]acetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(4-carbomethoxy-2-isobutyl-phenoxy)acetic acid Formula: C21H22O7 MolecularWeight: 386.39518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)C(=O)OC)OC(C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)C(=O)OC)OC(C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C21H22O7/c1-12(2)8-15-9-14(21(24)25-3)5-6-16(15)28-19(20(22)23)13-4-7-17-18(10-13)27-11-26-17/h4-7,9-10,12,19H,8,11H2,1-3H3,(H,22,23)