2-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenoxy]-2-methyl-propionic acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18N2O6/c1-18(2,16(21)22)26-13-6-3-11(4-7-13)19-17(23)20-12-5-8-14-15(9-12)25-10-24-14/h3-9H,10H2,1-2H3,(H,21,22)(H2,19,20,23)