2-[1,3-benzodioxol-5-ylmethyl-(2,3-dimethylphenyl)amino]ethanoate

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-(2,3-dimethylphenyl)amino]ethanoate Openeye Name: 2-[N-(1,3-benzodioxol-5-ylmethyl)-2,3-dimethyl-anilino]acetate CAS Name: 2-[N-(1,3-benzodioxol-5-ylmethyl)-2,3-dimethylanilino]acetate IUPAC Name: 2-[N-(1,3-benzodioxol-5-ylmethyl)-2,3-dimethylanilino]acetate Traditional Name: 2-(2,3-dimethyl-N-piperonyl-anilino)acetate Formula: C18H18NO4- MolecularWeight: 312.33982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(CC2=CC3=C(C=C2)OCO3)CC(=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N(CC2=CC3=C(C=C2)OCO3)CC(=O)[O-])C

InChI

InChI=1S/C18H19NO4/c1-12-4-3-5-15(13(12)2)19(10-18(20)21)9-14-6-7-16-17(8-14)23-11-22-16/h3-8H,9-11H2,1-2H3,(H,20,21)/p-1