2-(1,3-benzodioxol-5-yl)-2-[4-(propan-2-ylcarbamoylamino)-2-propyl-phenoxy]ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(propan-2-ylcarbamoylamino)-2-propyl-phenoxy]ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(isopropylcarbamoylamino)-2-propyl-phenoxy]acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[4-[[oxo-(propan-2-ylamino)methyl]amino]-2-propylphenoxy]acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(propan-2-ylcarbamoylamino)-2-propylphenoxy]acetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(isopropylcarbamoylamino)-2-propyl-phenoxy]acetic acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)NC(=O)NC(C)C)OC(C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)NC(=O)NC(C)C)OC(C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C22H26N2O6/c1-4-5-14-10-16(24-22(27)23-13(2)3)7-9-17(14)30-20(21(25)26)15-6-8-18-19(11-15)29-12-28-18/h6-11,13,20H,4-5,12H2,1-3H3,(H,25,26)(H2,23,24,27)