2-[4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-2-methylphenoxy]acetic acid Traditional Name: 2-(2-methyl-4-piperonyl-phenoxy)acetic acid Formula: C17H16O5 MolecularWeight: 300.30594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=CC3=C(C=C2)OCO3)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=CC3=C(C=C2)OCO3)OCC(=O)O

InChI

InChI=1S/C17H16O5/c1-11-6-12(2-4-14(11)20-9-17(18)19)7-13-3-5-15-16(8-13)22-10-21-15/h2-6,8H,7,9-10H2,1H3,(H,18,19)